N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine

C10H17ClN4O — CID 62869549

IUPACN-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H17ClN4O/c1-4-5-6-12-9-13-8(11)14-10(15-9)16-7(2)3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyJVTMNFZIBZMVHJ-UHFFFAOYSA-N
MW244.73 g/mol
LogP2.52
Rot. Bonds6

About N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine

N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 62869549) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID62869549
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC NameN-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H17ClN4O/c1-4-5-6-12-9-13-8(11)14-10(15-9)16-7(2)3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyJVTMNFZIBZMVHJ-UHFFFAOYSA-N
XLogP2.52
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 62869549) is N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCCCNc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is JVTMNFZIBZMVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-4-5-6-12-9-13-8(11)14-10(15-9)16-7(2)3/h7H,4-6H2,1-3H3,(H,12,13,14,15).
What are the key properties of N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 244.73 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).