4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine

C9H13Cl2N5 — CID 57443710

IUPAC4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine
SMILESCNc1nc(Cl)c(Cl)c(N2CCNCC2)n1
InChIInChI=1S/C9H13Cl2N5/c1-12-9-14-7(11)6(10)8(15-9)16-4-2-13-3-5-16/h13H,2-5H2,1H3,(H,12,14,15)
InChIKeyPCPZSGSMCOMTMX-UHFFFAOYSA-N
MW262.14 g/mol
LogP1.23
Rot. Bonds2

About 4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine

4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine (PubChem CID 57443710) has the molecular formula C9H13Cl2N5 and a molecular weight of 262.14 g/mol. Its IUPAC name is 4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine
PubChem CID57443710
Molecular FormulaC9H13Cl2N5
Molecular Weight262.14 g/mol
Exact Mass261.05
IUPAC Name4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine
SMILESCNc1nc(Cl)c(Cl)c(N2CCNCC2)n1
InChIInChI=1S/C9H13Cl2N5/c1-12-9-14-7(11)6(10)8(15-9)16-4-2-13-3-5-16/h13H,2-5H2,1H3,(H,12,14,15)
InChIKeyPCPZSGSMCOMTMX-UHFFFAOYSA-N
XLogP1.23
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836914
(4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine
CID 87183221
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride
CID 91985266
5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836911
4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine
CID 163596242
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
1-(2,3,5,6-tetrachloro-4-pyridinyl)-1,4-diazepane
CID 4662988
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80983428
2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80984497
methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride
CID 90674683
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of 4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine (CID 57443710) is 4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine is CNc1nc(Cl)c(Cl)c(N2CCNCC2)n1.
What is the InChIKey of 4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is PCPZSGSMCOMTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N5/c1-12-9-14-7(11)6(10)8(15-9)16-4-2-13-3-5-16/h13H,2-5H2,1H3,(H,12,14,15).
What are the key properties of 4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine?
4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 262.14 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-methyl-6-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 57443710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).