4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C11H16ClN5 — CID 62869030

IUPAC4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C11H16ClN5/c12-9-14-10(13-8-4-5-8)16-11(15-9)17-6-2-1-3-7-17/h8H,1-7H2,(H,13,14,15,16)
InChIKeyJQSLMMCQHFIJGL-UHFFFAOYSA-N
MW253.74 g/mol
LogP2.09
Rot. Bonds3

About 4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 62869030) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID62869030
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C11H16ClN5/c12-9-14-10(13-8-4-5-8)16-11(15-9)17-6-2-1-3-7-17/h8H,1-7H2,(H,13,14,15,16)
InChIKeyJQSLMMCQHFIJGL-UHFFFAOYSA-N
XLogP2.09
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870590
4-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10568388
4-chloro-N-(1,1-dioxothian-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63924542
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 71598389
4-(cyclohexylamino)-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 11173697
2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80789723
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624
4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
CID 133344596
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine
CID 71598299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 62869030) is 4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is Clc1nc(NC2CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is JQSLMMCQHFIJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c12-9-14-10(13-8-4-5-8)16-11(15-9)17-6-2-1-3-7-17/h8H,1-7H2,(H,13,14,15,16).
What are the key properties of 4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 253.74 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).