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

C13H21ClN4O — CID 64920878

IUPAC4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NC2CCC(C)C2C)n1
InChIInChI=1S/C13H21ClN4O/c1-7(2)19-13-17-11(14)16-12(18-13)15-10-6-5-8(3)9(10)4/h7-10H,5-6H2,1-4H3,(H,15,16,17,18)
InChIKeyIDNOJNHUOAYAJO-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.16
Rot. Bonds4

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

4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 64920878) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID64920878
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NC2CCC(C)C2C)n1
InChIInChI=1S/C13H21ClN4O/c1-7(2)19-13-17-11(14)16-12(18-13)15-10-6-5-8(3)9(10)4/h7-10H,5-6H2,1-4H3,(H,15,16,17,18)
InChIKeyIDNOJNHUOAYAJO-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64731761
6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 64920679
4-chloro-N-(1,1-dioxothian-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865280
4-chloro-N-[(4-ethylcyclohexyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548907
3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 55125053
2-chloro-4-(3,4-dimethylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
CID 64745938
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80925544
N-(2,3-dimethylcyclopentyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80915750
4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64520815
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865015
4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 55125282
3-[[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106137358

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 64920878) is 4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(NC2CCC(C)C2C)n1.
What is the InChIKey of 4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is IDNOJNHUOAYAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-7(2)19-13-17-11(14)16-12(18-13)15-10-6-5-8(3)9(10)4/h7-10H,5-6H2,1-4H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 64920878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).