(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide

C14H24N4O2 — CID 107600110

IUPAC(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide
SMILESCOc1cc(C)nc(NC(=O)C[C@@H](CN)CC(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)5-11(8-15)7-12(19)17-14-16-10(3)6-13(18-14)20-4/h6,9,11H,5,7-8,15H2,1-4H3,(H,16,17,18,19)/t11-/m0/s1
InChIKeyGOBPWASWMZHSKD-NSHDSACASA-N
MW280.37 g/mol
LogP1.74
Rot. Bonds7

About (3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide

(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide (PubChem CID 107600110) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide
PubChem CID107600110
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide
SMILESCOc1cc(C)nc(NC(=O)C[C@@H](CN)CC(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)5-11(8-15)7-12(19)17-14-16-10(3)6-13(18-14)20-4/h6,9,11H,5,7-8,15H2,1-4H3,(H,16,17,18,19)/t11-/m0/s1
InChIKeyGOBPWASWMZHSKD-NSHDSACASA-N
XLogP1.74
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 107605563
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide
CID 107600194
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
CID 107600198
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107600043
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
methyl (2S)-2-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-4-methylpentanoate
CID 103954861
(3S)-3-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-methylhexanamide
CID 81368816
(2R)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600196
(2S)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600159
3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide
CID 114839771
2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
CID 107600321

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide (CID 107600110) is (3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide is COc1cc(C)nc(NC(=O)C[C@@H](CN)CC(C)C)n1.
What is the InChIKey of (3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide?
The InChIKey is GOBPWASWMZHSKD-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)5-11(8-15)7-12(19)17-14-16-10(3)6-13(18-14)20-4/h6,9,11H,5,7-8,15H2,1-4H3,(H,16,17,18,19)/t11-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide?
(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide has a molecular weight of 280.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide is sourced from PubChem (CID 107600110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).