2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine

C11H16ClN5 — CID 114043660

IUPAC2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine
SMILESNc1cnc(Cl)nc1N1CCN(C2CC2)CC1
InChIInChI=1S/C11H16ClN5/c12-11-14-7-9(13)10(15-11)17-5-3-16(4-6-17)8-1-2-8/h7-8H,1-6,13H2
InChIKeyVEQIZBBFNXOQSV-UHFFFAOYSA-N
MW253.74 g/mol
LogP1.00
Rot. Bonds2

About 2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine

2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 114043660) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID114043660
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine
SMILESNc1cnc(Cl)nc1N1CCN(C2CC2)CC1
InChIInChI=1S/C11H16ClN5/c12-11-14-7-9(13)10(15-11)17-5-3-16(4-6-17)8-1-2-8/h7-8H,1-6,13H2
InChIKeyVEQIZBBFNXOQSV-UHFFFAOYSA-N
XLogP1.00
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 18801422
1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
CID 114044014
2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
CID 79076184
5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine
CID 71144951
2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine
CID 114043901
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-chloropyrimidin-5-amine
CID 114043867
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloropyrimidin-5-amine
CID 114043625
2,4-dichloro-6-(4-cyclopropylpiperazin-1-yl)-1,3,5-triazine
CID 62869573
5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine
CID 104506751
3-(4-cyclopropylpiperazin-1-yl)quinoxalin-2-amine
CID 102986229
6-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80799407
5-(4-cyclopropylpiperazin-1-yl)pyridin-3-amine
CID 104533354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine (CID 114043660) is 2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine is Nc1cnc(Cl)nc1N1CCN(C2CC2)CC1.
What is the InChIKey of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is VEQIZBBFNXOQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c12-11-14-7-9(13)10(15-11)17-5-3-16(4-6-17)8-1-2-8/h7-8H,1-6,13H2.
What are the key properties of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine?
2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 253.74 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 114043660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).