N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide

C16H22N4O4 — CID 167817937

IUPACN-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)c1cnc(C(C)C)nc1
InChIInChI=1S/C16H22N4O4/c1-8(2)15-17-4-10(5-18-15)16(22)20-12-7-24-13-11(19-9(3)21)6-23-14(12)13/h4-5,8,11-14H,6-7H2,1-3H3,(H,19,21)(H,20,22)/t11-,12-,13+,14+/m0/s1
InChIKeyRNHFPJHJGFZHRX-IGQOVBAYSA-N
MW334.38 g/mol
LogP0.00
Rot. Bonds4

About N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide

N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 167817937) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID167817937
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)c1cnc(C(C)C)nc1
InChIInChI=1S/C16H22N4O4/c1-8(2)15-17-4-10(5-18-15)16(22)20-12-7-24-13-11(19-9(3)21)6-23-14(12)13/h4-5,8,11-14H,6-7H2,1-3H3,(H,19,21)(H,20,22)/t11-,12-,13+,14+/m0/s1
InChIKeyRNHFPJHJGFZHRX-IGQOVBAYSA-N
XLogP0.00
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 167946600
N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 110132997
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 156585287
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 156586450
[3-(pyrimidine-5-carbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate
CID 73130595
molecular hydrogen;N-(2,2,3,4,4-pentamethylcyclobutyl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 176982669
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 156585551
N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide
CID 134287699
N-[(3aR,5S,6S,7aS)-6-hydroxy-2-(2-pyrazol-1-ylethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 172659813
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
methyl 3-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]-5-hydroxybenzoate
CID 156585419
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-4-methylbenzamide
CID 155912978

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 167817937) is N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide is CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)c1cnc(C(C)C)nc1.
What is the InChIKey of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is RNHFPJHJGFZHRX-IGQOVBAYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-8(2)15-17-4-10(5-18-15)16(22)20-12-7-24-13-11(19-9(3)21)6-23-14(12)13/h4-5,8,11-14H,6-7H2,1-3H3,(H,19,21)(H,20,22)/t11-,12-,13+,14+/m0/s1.
What are the key properties of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide?
N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 167817937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).