2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

C13H14Cl2N4 — CID 79780012

IUPAC2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ncc(Cl)cc2Cl)nc(N)c1C(C)C
InChIInChI=1S/C13H14Cl2N4/c1-6(2)10-7(3)18-13(19-12(10)16)11-9(15)4-8(14)5-17-11/h4-6H,1-3H3,(H2,16,18,19)
InChIKeyHWLBQMKBLHZAMQ-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.86
Rot. Bonds2

About 2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 79780012) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID79780012
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ncc(Cl)cc2Cl)nc(N)c1C(C)C
InChIInChI=1S/C13H14Cl2N4/c1-6(2)10-7(3)18-13(19-12(10)16)11-9(15)4-8(14)5-17-11/h4-6H,1-3H3,(H2,16,18,19)
InChIKeyHWLBQMKBLHZAMQ-UHFFFAOYSA-N
XLogP3.86
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79780014
methyl 4-amino-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-5-carboxylate
CID 116647598
(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431234
5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine
CID 79786506
2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine
CID 79786246
6-methyl-2-(4-methylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 62914005
2-(3,5-dichloro-2-pyridinyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742246
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62915670
5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79779927
(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901729
5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine
CID 114205763
2-(2,4-dimethylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913279

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 79780012) is 2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is Cc1nc(-c2ncc(Cl)cc2Cl)nc(N)c1C(C)C.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is HWLBQMKBLHZAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-6(2)10-7(3)18-13(19-12(10)16)11-9(15)4-8(14)5-17-11/h4-6H,1-3H3,(H2,16,18,19).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 297.19 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79780012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).