4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine

C13H20ClN5 — CID 71598072

IUPAC4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCC1CC(C)CN(c2nc(Cl)nc(NC3CC3)n2)C1
InChIInChI=1S/C13H20ClN5/c1-8-5-9(2)7-19(6-8)13-17-11(14)16-12(18-13)15-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,15,16,17,18)
InChIKeyNBANWVNFDJUOST-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.58
Rot. Bonds3

About 4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 71598072) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID71598072
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCC1CC(C)CN(c2nc(Cl)nc(NC3CC3)n2)C1
InChIInChI=1S/C13H20ClN5/c1-8-5-9(2)7-19(6-8)13-17-11(14)16-12(18-13)15-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,15,16,17,18)
InChIKeyNBANWVNFDJUOST-UHFFFAOYSA-N
XLogP2.58
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(tert-butyl)-N'-ethyl-6-(1-piperidinyl)-1,3,5-triazine-2,4-diamine
CID 974634
N2,N4-diisopropyl-6-(1-piperidyl)-1,3,5-triazine-2,4-diamine
CID 7589310
4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 71596833
4-chloro-N-cyclopropyl-6-(4-isopropylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 71597017
4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 71597111
2,2,6,6-tetramethylpiperidine 4-amino-(N,N-dichlorotriazine)
CID 192179
N-(tert-Butyl)-4-chloro-6-(1-piperidinyl)-1,3,5-triazin-2-amine
CID 535393
4-Chloro-6-(piperidin-1-yl)-N^2^-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 139072421
4-chloro-N-propyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80829196
4-chloro-N-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80830162
4-chloro-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80847525
4-chloro-N-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80847673

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine (CID 71598072) is 4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine is CC1CC(C)CN(c2nc(Cl)nc(NC3CC3)n2)C1.
What is the InChIKey of 4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is NBANWVNFDJUOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-8-5-9(2)7-19(6-8)13-17-11(14)16-12(18-13)15-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-cyclopropyl-6-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 281.79 g/mol, XLogP of 2.58, 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-(3,5-dimethylpiperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71598072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).