3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine

C16H22N4 — CID 65293667

IUPAC3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1ccnc(-c2nc(C)c(CC(C)CN)c(C)n2)c1
InChIInChI=1S/C16H22N4/c1-10-5-6-18-15(8-10)16-19-12(3)14(13(4)20-16)7-11(2)9-17/h5-6,8,11H,7,9,17H2,1-4H3
InChIKeyLFMNYJGGSRYQBV-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.60
Rot. Bonds4

About 3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine

3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 65293667) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID65293667
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1ccnc(-c2nc(C)c(CC(C)CN)c(C)n2)c1
InChIInChI=1S/C16H22N4/c1-10-5-6-18-15(8-10)16-19-12(3)14(13(4)20-16)7-11(2)9-17/h5-6,8,11H,7,9,17H2,1-4H3
InChIKeyLFMNYJGGSRYQBV-UHFFFAOYSA-N
XLogP2.60
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine (CID 65293667) is 3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine is Cc1ccnc(-c2nc(C)c(CC(C)CN)c(C)n2)c1.
What is the InChIKey of 3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is LFMNYJGGSRYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-10-5-6-18-15(8-10)16-19-12(3)14(13(4)20-16)7-11(2)9-17/h5-6,8,11H,7,9,17H2,1-4H3.
What are the key properties of 3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65293667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).