[4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol

C19H23N5O — CID 147237503

IUPAC[4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol
SMILESCCCCNc1nc(N)nc2ccc(Cc3ccc(CO)cc3)nc12
InChIInChI=1S/C19H23N5O/c1-2-3-10-21-18-17-16(23-19(20)24-18)9-8-15(22-17)11-13-4-6-14(12-25)7-5-13/h4-9,25H,2-3,10-12H2,1H3,(H3,20,21,23,24)
InChIKeyCKCMPCGLINMRJD-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.90
Rot. Bonds7

About [4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol

[4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol (PubChem CID 147237503) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol
PubChem CID147237503
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol
SMILESCCCCNc1nc(N)nc2ccc(Cc3ccc(CO)cc3)nc12
InChIInChI=1S/C19H23N5O/c1-2-3-10-21-18-17-16(23-19(20)24-18)9-8-15(22-17)11-13-4-6-14(12-25)7-5-13/h4-9,25H,2-3,10-12H2,1H3,(H3,20,21,23,24)
InChIKeyCKCMPCGLINMRJD-UHFFFAOYSA-N
XLogP2.90
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.90
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

1-[4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-ol
CID 11523411
2-[1-(2-Methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-piperidin-2-yl]-ethanol
CID 10667042
2-[[6-(4-Ethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918569
[2-Amino-4-(butylamino)quinazolin-7-yl]methanol
CID 71041842
[2-Amino-4-(butylamino)quinazolin-6-yl]methanol
CID 71041868
(1R)-2-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 76310795
CID 147429730
CID 147429730
4-N-butyl-6-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 148730174
6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 149046473
6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 149197618
4-N-butyl-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 153014776
4-N-butyl-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 153259122

Frequently Asked Questions

What is the IUPAC name of [4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol (CID 147237503) is [4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol is CCCCNc1nc(N)nc2ccc(Cc3ccc(CO)cc3)nc12.
What is the InChIKey of [4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol?
The InChIKey is CKCMPCGLINMRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-3-10-21-18-17-16(23-19(20)24-18)9-8-15(22-17)11-13-4-6-14(12-25)7-5-13/h4-9,25H,2-3,10-12H2,1H3,(H3,20,21,23,24).
What are the key properties of [4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol?
[4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol has a molecular weight of 337.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methanol is sourced from PubChem (CID 147237503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).