6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C10H18ClN5O — CID 3032414

IUPAC6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C10H18ClN5O/c1-7(2)13-10-15-8(11)14-9(16-10)12-5-4-6-17-3/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyPMYBBBROJPQQQV-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.79
Rot. Bonds7

About 6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 3032414) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID3032414
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C10H18ClN5O/c1-7(2)13-10-15-8(11)14-9(16-10)12-5-4-6-17-3/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyPMYBBBROJPQQQV-UHFFFAOYSA-N
XLogP1.79
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 3032414) is 6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is COCCCNc1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PMYBBBROJPQQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-7(2)13-10-15-8(11)14-9(16-10)12-5-4-6-17-3/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 259.74 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(3-methoxypropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3032414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).