4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C19H22N6 — CID 133439662

IUPAC4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCc3ccccc3N3CCCCC3)ncnc2n1
InChIInChI=1S/C19H22N6/c20-17-9-8-15-18(22-13-23-19(15)24-17)21-12-14-6-2-3-7-16(14)25-10-4-1-5-11-25/h2-3,6-9,13H,1,4-5,10-12H2,(H3,20,21,22,23,24)
InChIKeyGIUQANVWRPXNMM-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.21
Rot. Bonds4

About 4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133439662) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133439662
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCc3ccccc3N3CCCCC3)ncnc2n1
InChIInChI=1S/C19H22N6/c20-17-9-8-15-18(22-13-23-19(15)24-17)21-12-14-6-2-3-7-16(14)25-10-4-1-5-11-25/h2-3,6-9,13H,1,4-5,10-12H2,(H3,20,21,22,23,24)
InChIKeyGIUQANVWRPXNMM-UHFFFAOYSA-N
XLogP3.21
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133396106
4-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407819
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916
4-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408062
7-N-ethyl-6-nitro-4-N-[(2-piperidin-1-ylphenyl)methyl]quinazoline-4,7-diamine
CID 23293097
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409658
1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 167812213
4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407209
4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407759
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133439662) is 4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NCc3ccccc3N3CCCCC3)ncnc2n1.
What is the InChIKey of 4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is GIUQANVWRPXNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c20-17-9-8-15-18(22-13-23-19(15)24-17)21-12-14-6-2-3-7-16(14)25-10-4-1-5-11-25/h2-3,6-9,13H,1,4-5,10-12H2,(H3,20,21,22,23,24).
What are the key properties of 4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 334.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133439662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).