6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

C16H22N4 — CID 80952057

IUPAC6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cnccc2C)nc(C(C)C)n1
InChIInChI=1S/C16H22N4/c1-5-7-18-15-9-14(19-16(20-15)11(2)3)13-10-17-8-6-12(13)4/h6,8-11H,5,7H2,1-4H3,(H,18,19,20)
InChIKeyDFQKJHMOORTTLQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.79
Rot. Bonds5

About 6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80952057) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80952057
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cnccc2C)nc(C(C)C)n1
InChIInChI=1S/C16H22N4/c1-5-7-18-15-9-14(19-16(20-15)11(2)3)13-10-17-8-6-12(13)4/h6,8-11H,5,7H2,1-4H3,(H,18,19,20)
InChIKeyDFQKJHMOORTTLQ-UHFFFAOYSA-N
XLogP3.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
CID 80952791
2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 80948737
5-methyl-6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80975870
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 114957968
6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952418
N-ethyl-2-propan-2-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 80952838
N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80948151
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 107514561
6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80952057) is 6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cnccc2C)nc(C(C)C)n1.
What is the InChIKey of 6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is DFQKJHMOORTTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-7-18-15-9-14(19-16(20-15)11(2)3)13-10-17-8-6-12(13)4/h6,8-11H,5,7H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80952057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).