1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine

C17H23N3 — CID 62744950

IUPAC1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(-c2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C17H23N3/c1-11(2)14-6-8-15(9-7-14)17-19-12(3)16(10-18-5)13(4)20-17/h6-9,11,18H,10H2,1-5H3
InChIKeyXBKRVIXGPCEXGW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.60
Rot. Bonds4

About 1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine

1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 62744950) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID62744950
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(-c2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C17H23N3/c1-11(2)14-6-8-15(9-7-14)17-19-12(3)16(10-18-5)13(4)20-17/h6-9,11,18H,10H2,1-5H3
InChIKeyXBKRVIXGPCEXGW-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine (CID 62744950) is 1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1c(C)nc(-c2ccc(C(C)C)cc2)nc1C.
What is the InChIKey of 1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is XBKRVIXGPCEXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11(2)14-6-8-15(9-7-14)17-19-12(3)16(10-18-5)13(4)20-17/h6-9,11,18H,10H2,1-5H3.
What are the key properties of 1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-dimethyl-2-(4-propan-2-ylphenyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62744950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).