4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H19ClN4O — CID 64520815

IUPAC4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-8(2)19-13-16-11(14)15-12(17-13)18(10-5-6-10)7-9-3-4-9/h8-10H,3-7H2,1-2H3
InChIKeyIMPOPAACGAZJMT-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.69
Rot. Bonds6

About 4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 64520815) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID64520815
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-8(2)19-13-16-11(14)15-12(17-13)18(10-5-6-10)7-9-3-4-9/h8-10H,3-7H2,1-2H3
InChIKeyIMPOPAACGAZJMT-UHFFFAOYSA-N
XLogP2.69
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62863275
1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62863254
4-chloro-N-[(4-ethylcyclohexyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548907
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82748110
4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64920878
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80845232
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 62863945
2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
CID 64745938
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-cyclopropylamino]propanoic acid
CID 62857798
N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine
CID 62863220
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80844355

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 64520815) is 4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(N(CC2CC2)C2CC2)n1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is IMPOPAACGAZJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-8(2)19-13-16-11(14)15-12(17-13)18(10-5-6-10)7-9-3-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 282.77 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 64520815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).