N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C18H24N6 — CID 167861635

IUPACN-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCc1nc(-c2ncccn2)nc(NC2CCC3CN(C)CC32)c1C
InChIInChI=1S/C18H24N6/c1-11-12(2)21-18(17-19-7-4-8-20-17)23-16(11)22-15-6-5-13-9-24(3)10-14(13)15/h4,7-8,13-15H,5-6,9-10H2,1-3H3,(H,21,22,23)
InChIKeyHACKDQBZLCGHLO-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.30
Rot. Bonds3

About N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 167861635) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID167861635
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCc1nc(-c2ncccn2)nc(NC2CCC3CN(C)CC32)c1C
InChIInChI=1S/C18H24N6/c1-11-12(2)21-18(17-19-7-4-8-20-17)23-16(11)22-15-6-5-13-9-24(3)10-14(13)15/h4,7-8,13-15H,5-6,9-10H2,1-3H3,(H,21,22,23)
InChIKeyHACKDQBZLCGHLO-UHFFFAOYSA-N
XLogP2.30
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 167861635) is N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is Cc1nc(-c2ncccn2)nc(NC2CCC3CN(C)CC32)c1C.
What is the InChIKey of N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is HACKDQBZLCGHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-11-12(2)21-18(17-19-7-4-8-20-17)23-16(11)22-15-6-5-13-9-24(3)10-14(13)15/h4,7-8,13-15H,5-6,9-10H2,1-3H3,(H,21,22,23).
What are the key properties of N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 324.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-2-pyrimidin-2-ylpyrimidin-4-yl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 167861635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).