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

C15H26ClN5 — CID 80968303

IUPAC6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C15H26ClN5/c1-5-6-13-18-14(16)11(2)15(19-13)17-9-12-10-20(3)7-8-21(12)4/h12H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyCRMWSMQZOXQPIG-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.05
Rot. Bonds5

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

6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80968303) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80968303
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C15H26ClN5/c1-5-6-13-18-14(16)11(2)15(19-13)17-9-12-10-20(3)7-8-21(12)4/h12H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyCRMWSMQZOXQPIG-UHFFFAOYSA-N
XLogP2.05
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 106028323
6-chloro-2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 80968202
6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80977889
6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80970244
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 63897136
6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80987106
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 115415736
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80819515
4-chloro-6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80725369
6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80978762
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine (CID 80968303) is 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCC2CN(C)CCN2C)n1.
What is the InChIKey of 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is CRMWSMQZOXQPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/c1-5-6-13-18-14(16)11(2)15(19-13)17-9-12-10-20(3)7-8-21(12)4/h12H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 311.86 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80968303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).