(2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide

C12H18N4O2 — CID 129479034

IUPAC(2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide
SMILESC[C@@H]1OCCC[C@H]1C(=O)NCc1cncnc1N
InChIInChI=1S/C12H18N4O2/c1-8-10(3-2-4-18-8)12(17)15-6-9-5-14-7-16-11(9)13/h5,7-8,10H,2-4,6H2,1H3,(H,15,17)(H2,13,14,16)/t8-,10+/m0/s1
InChIKeyYCXPXIIZIOYXIH-WCBMZHEXSA-N
MW250.30 g/mol
LogP0.49
Rot. Bonds3

About (2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide

(2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide (PubChem CID 129479034) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide
PubChem CID129479034
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide
SMILESC[C@@H]1OCCC[C@H]1C(=O)NCc1cncnc1N
InChIInChI=1S/C12H18N4O2/c1-8-10(3-2-4-18-8)12(17)15-6-9-5-14-7-16-11(9)13/h5,7-8,10H,2-4,6H2,1H3,(H,15,17)(H2,13,14,16)/t8-,10+/m0/s1
InChIKeyYCXPXIIZIOYXIH-WCBMZHEXSA-N
XLogP0.49
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349544
(2S,3R)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349546
(2R,3R)-2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]oxane-3-carboxamide
CID 129401715
(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 129399470
(2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide
CID 129479570
N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide
CID 139001207
2-methyl-N-(5-methyl-2-pyridinyl)oxane-3-carboxamide
CID 128999567
(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide
CID 130892243
(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
CID 129399614
5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099650
N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
CID 113347521
(2R)-N-[(5-amino-1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 104856388

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide?
The IUPAC name of (2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide (CID 129479034) is (2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide?
The canonical SMILES for (2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide is C[C@@H]1OCCC[C@H]1C(=O)NCc1cncnc1N.
What is the InChIKey of (2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide?
The InChIKey is YCXPXIIZIOYXIH-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-10(3-2-4-18-8)12(17)15-6-9-5-14-7-16-11(9)13/h5,7-8,10H,2-4,6H2,1H3,(H,15,17)(H2,13,14,16)/t8-,10+/m0/s1.
What are the key properties of (2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide?
(2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide is sourced from PubChem (CID 129479034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).