2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine

C17H24N4 — CID 80948737

IUPAC2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cnccc2C)nc(C(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-6-8-19-15-10-14(13-11-18-9-7-12(13)2)20-16(21-15)17(3,4)5/h7,9-11H,6,8H2,1-5H3,(H,19,20,21)
InChIKeyLBZWQFKYWBPGEY-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.97
Rot. Bonds4

About 2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine

2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine (PubChem CID 80948737) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine
PubChem CID80948737
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cnccc2C)nc(C(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-6-8-19-15-10-14(13-11-18-9-7-12(13)2)20-16(21-15)17(3,4)5/h7,9-11H,6,8H2,1-5H3,(H,19,20,21)
InChIKeyLBZWQFKYWBPGEY-UHFFFAOYSA-N
XLogP3.97
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952057
6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769597
6-(2-bromophenyl)-2-tert-butyl-N-propylpyrimidin-4-amine
CID 115503703
2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine
CID 80952417
2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine
CID 80935966
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 62191984
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
N-ethyl-2-(4-methyl-3-pyridinyl)pyridin-4-amine
CID 102824842

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine (CID 80948737) is 2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cnccc2C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine?
The InChIKey is LBZWQFKYWBPGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-6-8-19-15-10-14(13-11-18-9-7-12(13)2)20-16(21-15)17(3,4)5/h7,9-11H,6,8H2,1-5H3,(H,19,20,21).
What are the key properties of 2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine?
2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80948737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).