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

C10H16ClN5 — CID 83022753

IUPAC6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NN1CCN(C)CC1
InChIInChI=1S/C10H16ClN5/c1-8-9(11)12-7-13-10(8)14-16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyQVVRUVMKQSUJFM-UHFFFAOYSA-N
MW241.73 g/mol
LogP1.01
Rot. Bonds2

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

6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 83022753) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID83022753
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NN1CCN(C)CC1
InChIInChI=1S/C10H16ClN5/c1-8-9(11)12-7-13-10(8)14-16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyQVVRUVMKQSUJFM-UHFFFAOYSA-N
XLogP1.01
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 51.01
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-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 83022753) is 6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine is Cc1c(Cl)ncnc1NN1CCN(C)CC1.
What is the InChIKey of 6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is QVVRUVMKQSUJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-8-9(11)12-7-13-10(8)14-16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 241.73 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 83022753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).