2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide

C16H24N4O3 — CID 91790443

IUPAC2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)nc(N)n1
InChIInChI=1S/C16H24N4O3/c1-10-7-12(20-16(17)18-10)15(21)19-13-9-22-6-5-14(13)23-8-11-3-2-4-11/h7,11,13-14H,2-6,8-9H2,1H3,(H,19,21)(H2,17,18,20)/t13-,14+/m1/s1
InChIKeyDMFJUDXWYUAMPI-KGLIPLIRSA-N
MW320.39 g/mol
LogP1.07
Rot. Bonds5

About 2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide

2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide (PubChem CID 91790443) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide
PubChem CID91790443
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)nc(N)n1
InChIInChI=1S/C16H24N4O3/c1-10-7-12(20-16(17)18-10)15(21)19-13-9-22-6-5-14(13)23-8-11-3-2-4-11/h7,11,13-14H,2-6,8-9H2,1H3,(H,19,21)(H2,17,18,20)/t13-,14+/m1/s1
InChIKeyDMFJUDXWYUAMPI-KGLIPLIRSA-N
XLogP1.07
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide
CID 164630030
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide
CID 91774068
2-amino-N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-6-methylpyrimidine-4-carboxamide
CID 91829216
2-amino-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidine-4-carboxamide
CID 118778494
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1,3-oxazole-5-carboxamide
CID 91790782
4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 91766556
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91760865
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 91763710
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91788580
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide
CID 91786638
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide
CID 91789321
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 91761705

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide (CID 91790443) is 2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)nc(N)n1.
What is the InChIKey of 2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is DMFJUDXWYUAMPI-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10-7-12(20-16(17)18-10)15(21)19-13-9-22-6-5-14(13)23-8-11-3-2-4-11/h7,11,13-14H,2-6,8-9H2,1H3,(H,19,21)(H2,17,18,20)/t13-,14+/m1/s1.
What are the key properties of 2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide?
2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 91790443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).