4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine

C13H22ClN5 — CID 103504632

IUPAC4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C13H22ClN5/c1-4-15-12-16-11(14)17-13(18-12)19-7-5-10(6-8-19)9(2)3/h9-10H,4-8H2,1-3H3,(H,15,16,17,18)
InChIKeyVNIYVIWNIRUQDA-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.83
Rot. Bonds4

About 4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 103504632) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID103504632
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C13H22ClN5/c1-4-15-12-16-11(14)17-13(18-12)19-7-5-10(6-8-19)9(2)3/h9-10H,4-8H2,1-3H3,(H,15,16,17,18)
InChIKeyVNIYVIWNIRUQDA-UHFFFAOYSA-N
XLogP2.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310
4-chloro-N-ethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80846867
4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837274
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81108688
1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
CID 544488
4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746672
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol
CID 63297460
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 82752307
4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835290
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine (CID 103504632) is 4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(N2CCC(C(C)C)CC2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is VNIYVIWNIRUQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-4-15-12-16-11(14)17-13(18-12)19-7-5-10(6-8-19)9(2)3/h9-10H,4-8H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 283.81 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103504632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).