6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine

C12H15ClN6 — CID 47280536

IUPAC6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1ncccc1CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C12H15ClN6/c1-19(2)11-8(4-3-5-15-11)7-16-10-6-9(13)17-12(14)18-10/h3-6H,7H2,1-2H3,(H3,14,16,17,18)
InChIKeyXJXXUIBMVULOBJ-UHFFFAOYSA-N
MW278.75 g/mol
LogP1.79
Rot. Bonds4

About 6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine (PubChem CID 47280536) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
PubChem CID47280536
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1ncccc1CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C12H15ClN6/c1-19(2)11-8(4-3-5-15-11)7-16-10-6-9(13)17-12(14)18-10/h3-6H,7H2,1-2H3,(H3,14,16,17,18)
InChIKeyXJXXUIBMVULOBJ-UHFFFAOYSA-N
XLogP1.79
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 46576633
6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 47280465
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
3-[(2,2-dimethylpropylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 115607162
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
CID 103463549
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine
CID 133489708
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660340
6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 31537803

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine (CID 47280536) is 6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine is CN(C)c1ncccc1CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is XJXXUIBMVULOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-19(2)11-8(4-3-5-15-11)7-16-10-6-9(13)17-12(14)18-10/h3-6H,7H2,1-2H3,(H3,14,16,17,18).
What are the key properties of 6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 278.75 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 47280536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).