4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C12H20ClN5 — CID 15567738

IUPAC4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCc1c(Cl)nc(NC)nc1N1CCN(C)CC1
InChIInChI=1S/C12H20ClN5/c1-4-9-10(13)15-12(14-2)16-11(9)18-7-5-17(3)6-8-18/h4-8H2,1-3H3,(H,14,15,16)
InChIKeyVKJNJPPTNJKYEO-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.49
Rot. Bonds3

About 4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 15567738) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID15567738
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCc1c(Cl)nc(NC)nc1N1CCN(C)CC1
InChIInChI=1S/C12H20ClN5/c1-4-9-10(13)15-12(14-2)16-11(9)18-7-5-17(3)6-8-18/h4-8H2,1-3H3,(H,14,15,16)
InChIKeyVKJNJPPTNJKYEO-UHFFFAOYSA-N
XLogP1.49
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 15567738) is 4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CCc1c(Cl)nc(NC)nc1N1CCN(C)CC1.
What is the InChIKey of 4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is VKJNJPPTNJKYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-4-9-10(13)15-12(14-2)16-11(9)18-7-5-17(3)6-8-18/h4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 15567738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).