6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine

C15H24ClN5 — CID 80968202

IUPAC6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCC1CN(C)CCN1C
InChIInChI=1S/C15H24ClN5/c1-10-13(16)18-15(11-4-5-11)19-14(10)17-8-12-9-20(2)6-7-21(12)3/h11-12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeySAVSHYDFIRLFGA-UHFFFAOYSA-N
MW309.85 g/mol
LogP1.97
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 80968202) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
PubChem CID80968202
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCC1CN(C)CCN1C
InChIInChI=1S/C15H24ClN5/c1-10-13(16)18-15(11-4-5-11)19-14(10)17-8-12-9-20(2)6-7-21(12)3/h11-12H,4-9H2,1-3H3,(H,17,18,19)
InChIKeySAVSHYDFIRLFGA-UHFFFAOYSA-N
XLogP1.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80968303
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 63897136
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414813
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
4-chloro-6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80725369
5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076662
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80971290
4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine
CID 80972359
6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine
CID 63897975
6-chloro-2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63730175
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine (CID 80968202) is 6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCC1CN(C)CCN1C.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is SAVSHYDFIRLFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-10-13(16)18-15(11-4-5-11)19-14(10)17-8-12-9-20(2)6-7-21(12)3/h11-12H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 309.85 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80968202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).