4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H22ClN5 — CID 62870590

IUPAC4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCCCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C14H22ClN5/c15-12-17-13(16-11-7-3-1-2-4-8-11)19-14(18-12)20-9-5-6-10-20/h11H,1-10H2,(H,16,17,18,19)
InChIKeyYMMJFNXEQDADLJ-UHFFFAOYSA-N
MW295.82 g/mol
LogP3.26
Rot. Bonds3

About 4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 62870590) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID62870590
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCCCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C14H22ClN5/c15-12-17-13(16-11-7-3-1-2-4-8-11)19-14(18-12)20-9-5-6-10-20/h11H,1-10H2,(H,16,17,18,19)
InChIKeyYMMJFNXEQDADLJ-UHFFFAOYSA-N
XLogP3.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62869030
4-chloro-N-(1,1-dioxothian-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63924542
4-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10568388
4-(cyclohexylamino)-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 11173697
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869193
4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine
CID 167222890
4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 71598389
2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80789723
6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 80827381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 62870590) is 4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Clc1nc(NC2CCCCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YMMJFNXEQDADLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5/c15-12-17-13(16-11-7-3-1-2-4-8-11)19-14(18-12)20-9-5-6-10-20/h11H,1-10H2,(H,16,17,18,19).
What are the key properties of 4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 295.82 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).