6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine

C19H24N6 — CID 149046473

IUPAC6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc2ccc(Cc3ccc(CN)cc3)nc12
InChIInChI=1S/C19H24N6/c1-2-3-10-22-18-17-16(24-19(21)25-18)9-8-15(23-17)11-13-4-6-14(12-20)7-5-13/h4-9H,2-3,10-12,20H2,1H3,(H3,21,22,24,25)
InChIKeyQIRSUHYYQPKUQV-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.87
Rot. Bonds7

About 6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine

6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 149046473) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID149046473
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc2ccc(Cc3ccc(CN)cc3)nc12
InChIInChI=1S/C19H24N6/c1-2-3-10-22-18-17-16(24-19(21)25-18)9-8-15(23-17)11-13-4-6-14(12-20)7-5-13/h4-9H,2-3,10-12,20H2,1H3,(H3,21,22,24,25)
InChIKeyQIRSUHYYQPKUQV-UHFFFAOYSA-N
XLogP2.87
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-6-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 166630057
methyl 3-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]benzoate
CID 147453813
4-N-butyl-6-[[4-[(dimethylamino)methyl]-3-methoxyphenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 166629712
4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 147103146
6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 69095647
2-[[4-(aminomethyl)-2,6-dimethoxyphenyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839247
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
[4-[[2-amino-4-(butylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]methyl]phenyl]-oxosulfanium
CID 174109488
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839295
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 71041843

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine (CID 149046473) is 6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine is CCCCNc1nc(N)nc2ccc(Cc3ccc(CN)cc3)nc12.
What is the InChIKey of 6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is QIRSUHYYQPKUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-3-10-22-18-17-16(24-19(21)25-18)9-8-15(23-17)11-13-4-6-14(12-20)7-5-13/h4-9H,2-3,10-12,20H2,1H3,(H3,21,22,24,25).
What are the key properties of 6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 336.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 149046473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).