4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine

C13H21ClN4O — CID 107414801

IUPAC4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCC2CCC(C)C2)n1
InChIInChI=1S/C13H21ClN4O/c1-3-6-19-13-17-11(14)16-12(18-13)15-8-10-5-4-9(2)7-10/h9-10H,3-8H2,1-2H3,(H,15,16,17,18)
InChIKeyCQKSLAABFCNJPS-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.16
Rot. Bonds6

About 4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 107414801) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID107414801
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCC2CCC(C)C2)n1
InChIInChI=1S/C13H21ClN4O/c1-3-6-19-13-17-11(14)16-12(18-13)15-8-10-5-4-9(2)7-10/h9-10H,3-8H2,1-2H3,(H,15,16,17,18)
InChIKeyCQKSLAABFCNJPS-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-6-ethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 114130959
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62865100
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 106193903
4-chloro-6-(cyclopropylmethoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80867584
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
4-chloro-N-(3-ethylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 64742173
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
4-chloro-N-(dicyclopropylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62865328

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine (CID 107414801) is 4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCC2CCC(C)C2)n1.
What is the InChIKey of 4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is CQKSLAABFCNJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-6-19-13-17-11(14)16-12(18-13)15-8-10-5-4-9(2)7-10/h9-10H,3-8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107414801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).