4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine

C19H22N6O2 — CID 68843943

IUPAC4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc(-c2ccc3nc(N)nc(N4CCC(N)C4)c3n2)cc1OC
InChIInChI=1S/C19H22N6O2/c1-26-15-6-3-11(9-16(15)27-2)13-4-5-14-17(22-13)18(24-19(21)23-14)25-8-7-12(20)10-25/h3-6,9,12H,7-8,10,20H2,1-2H3,(H2,21,23,24)
InChIKeyOLMMTLAFBIUJHA-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.83
Rot. Bonds4

About 4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine

4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 68843943) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID68843943
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc(-c2ccc3nc(N)nc(N4CCC(N)C4)c3n2)cc1OC
InChIInChI=1S/C19H22N6O2/c1-26-15-6-3-11(9-16(15)27-2)13-4-5-14-17(22-13)18(24-19(21)23-14)25-8-7-12(20)10-25/h3-6,9,12H,7-8,10,20H2,1-2H3,(H2,21,23,24)
InChIKeyOLMMTLAFBIUJHA-UHFFFAOYSA-N
XLogP1.83
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine (CID 68843943) is 4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine is COc1ccc(-c2ccc3nc(N)nc(N4CCC(N)C4)c3n2)cc1OC.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is OLMMTLAFBIUJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-26-15-6-3-11(9-16(15)27-2)13-4-5-14-17(22-13)18(24-19(21)23-14)25-8-7-12(20)10-25/h3-6,9,12H,7-8,10,20H2,1-2H3,(H2,21,23,24).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine?
4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 366.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 68843943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).