6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine

C13H22ClN5 — CID 13151093

IUPAC6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(N2CCN(C)CC2)nc1NC(C)C
InChIInChI=1S/C13H22ClN5/c1-9(2)15-12-10(3)11(14)16-13(17-12)19-7-5-18(4)6-8-19/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGXXYWRIQRRWSNG-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.01
Rot. Bonds3

About 6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine

6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine (PubChem CID 13151093) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
PubChem CID13151093
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(N2CCN(C)CC2)nc1NC(C)C
InChIInChI=1S/C13H22ClN5/c1-9(2)15-12-10(3)11(14)16-13(17-12)19-7-5-18(4)6-8-19/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGXXYWRIQRRWSNG-UHFFFAOYSA-N
XLogP2.01
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine (CID 13151093) is 6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(N2CCN(C)CC2)nc1NC(C)C.
What is the InChIKey of 6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is GXXYWRIQRRWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-9(2)15-12-10(3)11(14)16-13(17-12)19-7-5-18(4)6-8-19/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 283.81 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 13151093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).