N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide

C16H20N4O2 — CID 126778756

IUPACN-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(CC(C)C(=O)NCc2nccc(N)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-11(9-12-3-5-13(22-2)6-4-12)16(21)19-10-15-18-8-7-14(17)20-15/h3-8,11H,9-10H2,1-2H3,(H,19,21)(H2,17,18,20)
InChIKeyPBQOOGPUNXFVHI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.56
Rot. Bonds6

About N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide

N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide (PubChem CID 126778756) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide
PubChem CID126778756
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(CC(C)C(=O)NCc2nccc(N)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-11(9-12-3-5-13(22-2)6-4-12)16(21)19-10-15-18-8-7-14(17)20-15/h3-8,11H,9-10H2,1-2H3,(H,19,21)(H2,17,18,20)
InChIKeyPBQOOGPUNXFVHI-UHFFFAOYSA-N
XLogP1.56
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[3-(4-methoxyphenyl)-2-methylpropanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110463
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
[4-[3-[(4-methoxyphenyl)methoxyamino]-2-methyl-3-oxopropyl]phenyl] methanesulfonate
CID 22943532
N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-(2-amino-4-pyridinyl)-2-[[2,2-bis(4-methoxyphenyl)acetyl]amino]butanamide
CID 70242034

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide (CID 126778756) is N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide is COc1ccc(CC(C)C(=O)NCc2nccc(N)n2)cc1.
What is the InChIKey of N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is PBQOOGPUNXFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(9-12-3-5-13(22-2)6-4-12)16(21)19-10-15-18-8-7-14(17)20-15/h3-8,11H,9-10H2,1-2H3,(H,19,21)(H2,17,18,20).
What are the key properties of N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide?
N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminopyrimidin-2-yl)methyl]-3-(4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 126778756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).