1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea

C18H21N7O — CID 133409466

IUPAC1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(CNc2ncnc3nc(N)ccc23)cc1
InChIInChI=1S/C18H21N7O/c1-11(2)23-18(26)24-13-5-3-12(4-6-13)9-20-16-14-7-8-15(19)25-17(14)22-10-21-16/h3-8,10-11H,9H2,1-2H3,(H2,23,24,26)(H3,19,20,21,22,25)
InChIKeyVNNWIUWZTHDMSH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.75
Rot. Bonds5

About 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea

1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea (PubChem CID 133409466) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea
PubChem CID133409466
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(CNc2ncnc3nc(N)ccc23)cc1
InChIInChI=1S/C18H21N7O/c1-11(2)23-18(26)24-13-5-3-12(4-6-13)9-20-16-14-7-8-15(19)25-17(14)22-10-21-16/h3-8,10-11H,9H2,1-2H3,(H2,23,24,26)(H3,19,20,21,22,25)
InChIKeyVNNWIUWZTHDMSH-UHFFFAOYSA-N
XLogP2.75
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea with MolForge

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Related Compounds

N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133408616
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133409598
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]isoquinoline-1-carboxamide
CID 51128129
4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409658
2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 119730362
3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide
CID 75434699
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409050
2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide
CID 133408641

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea (CID 133409466) is 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(CNc2ncnc3nc(N)ccc23)cc1.
What is the InChIKey of 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea?
The InChIKey is VNNWIUWZTHDMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-11(2)23-18(26)24-13-5-3-12(4-6-13)9-20-16-14-7-8-15(19)25-17(14)22-10-21-16/h3-8,10-11H,9H2,1-2H3,(H2,23,24,26)(H3,19,20,21,22,25).
What are the key properties of 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea?
1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea has a molecular weight of 351.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 133409466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).