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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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).