N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

C18H25N5 — CID 72844659

IUPACN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(NCCC34CCCN3CCC4)ncnc2n1
InChIInChI=1S/C18H25N5/c1-13-11-14(2)22-17-15(13)16(20-12-21-17)19-8-7-18-5-3-9-23(18)10-4-6-18/h11-12H,3-10H2,1-2H3,(H,19,20,21,22)
InChIKeyFQHFGJROGQCPMP-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72844659) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID72844659
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(NCCC34CCCN3CCC4)ncnc2n1
InChIInChI=1S/C18H25N5/c1-13-11-14(2)22-17-15(13)16(20-12-21-17)19-8-7-18-5-3-9-23(18)10-4-6-18/h11-12H,3-10H2,1-2H3,(H,19,20,21,22)
InChIKeyFQHFGJROGQCPMP-UHFFFAOYSA-N
XLogP3.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine (CID 72844659) is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine is Cc1cc(C)c2c(NCCC34CCCN3CCC4)ncnc2n1.
What is the InChIKey of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is FQHFGJROGQCPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-13-11-14(2)22-17-15(13)16(20-12-21-17)19-8-7-18-5-3-9-23(18)10-4-6-18/h11-12H,3-10H2,1-2H3,(H,19,20,21,22).
What are the key properties of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine?
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72844659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).