5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine

C12H20ClN5 — CID 80834036

IUPAC5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C12H20ClN5/c1-12(2)8-18(6-5-17(12)4)10-9(13)7-15-11(14-3)16-10/h7H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyHBSXIWZBPSJZGF-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.70
Rot. Bonds2

About 5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine

5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 80834036) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID80834036
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C12H20ClN5/c1-12(2)8-18(6-5-17(12)4)10-9(13)7-15-11(14-3)16-10/h7H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyHBSXIWZBPSJZGF-UHFFFAOYSA-N
XLogP1.70
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
CID 80828943
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 107396385
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836914
4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80833964
5-chloro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
CID 80804460
5-bromo-2-chloro-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
CID 79073012
4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80833659
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80854578
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 113336405
5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80847602
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114684020

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine (CID 80834036) is 5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine is CNc1ncc(Cl)c(N2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of 5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is HBSXIWZBPSJZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-12(2)8-18(6-5-17(12)4)10-9(13)7-15-11(14-3)16-10/h7H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of 5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine?
5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80834036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).