1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine

C24H34N6O2 — CID 68914629

IUPAC1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine
SMILESCOc1ccc(-c2ccc3nc(N)nc(C(N)CCCCCCCCN)c3n2)cc1OC
InChIInChI=1S/C24H34N6O2/c1-31-20-13-10-16(15-21(20)32-2)18-11-12-19-23(28-18)22(30-24(27)29-19)17(26)9-7-5-3-4-6-8-14-25/h10-13,15,17H,3-9,14,25-26H2,1-2H3,(H2,27,29,30)
InChIKeyLFNJGCATUIYHEB-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.98
Rot. Bonds12

About 1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine

1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine (PubChem CID 68914629) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine.

Molecular Properties

Compound Name1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine
PubChem CID68914629
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine
SMILESCOc1ccc(-c2ccc3nc(N)nc(C(N)CCCCCCCCN)c3n2)cc1OC
InChIInChI=1S/C24H34N6O2/c1-31-20-13-10-16(15-21(20)32-2)18-11-12-19-23(28-18)22(30-24(27)29-19)17(26)9-7-5-3-4-6-8-14-25/h10-13,15,17H,3-9,14,25-26H2,1-2H3,(H2,27,29,30)
InChIKeyLFNJGCATUIYHEB-UHFFFAOYSA-N
XLogP3.98
TPSA135.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 110172114
6-(3,4-dimethoxyphenyl)-4-ethoxypyrido[3,2-d]pyrimidin-2-amine;7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 68841354
4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 68843943
1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 59647867
6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 68912324
2-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 59647833
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 68914496
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-benzylpiperazine-1-carboxamide
CID 68919243
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 68920782
5-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-2-methoxybenzaldehyde
CID 87622899
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 68919359
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine
CID 171215718

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine?
The IUPAC name of 1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine (CID 68914629) is 1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine.
What is the SMILES notation for 1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine?
The canonical SMILES for 1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine is COc1ccc(-c2ccc3nc(N)nc(C(N)CCCCCCCCN)c3n2)cc1OC.
What is the InChIKey of 1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine?
The InChIKey is LFNJGCATUIYHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-31-20-13-10-16(15-21(20)32-2)18-11-12-19-23(28-18)22(30-24(27)29-19)17(26)9-7-5-3-4-6-8-14-25/h10-13,15,17H,3-9,14,25-26H2,1-2H3,(H2,27,29,30).
What are the key properties of 1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine?
1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine has a molecular weight of 438.58 g/mol, XLogP of 3.98, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]nonane-1,9-diamine is sourced from PubChem (CID 68914629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).