4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C14H17ClN6O — CID 59548397

IUPAC4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2cc(Cl)cnc2NC2CCOCC2)n1
InChIInChI=1S/C14H17ClN6O/c1-8-18-13(21-14(16)19-8)11-6-9(15)7-17-12(11)20-10-2-4-22-5-3-10/h6-7,10H,2-5H2,1H3,(H,17,20)(H2,16,18,19,21)
InChIKeyGFKWPUGTQVUIEN-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.07
Rot. Bonds3

About 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548397) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548397
Molecular FormulaC14H17ClN6O
Molecular Weight320.78 g/mol
Exact Mass320.12
IUPAC Name4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2cc(Cl)cnc2NC2CCOCC2)n1
InChIInChI=1S/C14H17ClN6O/c1-8-18-13(21-14(16)19-8)11-6-9(15)7-17-12(11)20-10-2-4-22-5-3-10/h6-7,10H,2-5H2,1H3,(H,17,20)(H2,16,18,19,21)
InChIKeyGFKWPUGTQVUIEN-UHFFFAOYSA-N
XLogP2.07
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-N-[5-chloro-4-[3,5-dichloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906395
[2,4a(2)-Bipyridine]-2a(2),6-diamine, N2a(2)-(trans-4-aminocyclohexyl)-5a(2)-chloro-N6-[(tetrahydro-4-methyl-2H-pyran-4-yl)methyl]-
CID 50906397
4-N-[5-chloro-4-[6-[(4-fluorooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906613
trans-N1-(5-chloro-4-(3-methyl-6-((tetrahydro-2H-pyran-4-yl)methyl)aminopyrazin-2-yl)pyridin-2-yl)cyclohexane-1,4-diamine
CID 58127086
4-N-[4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 60142669
N2'-(trans-4-aminocyclohexyl)-5'-chloro-N6-((tetrahydro-2H-pyran-4-yl)methyl)-2,4'-bipyridine-2',6-diamine
CID 66937043
4-N-[5-chloro-4-[6-[methyl(oxan-4-ylmethyl)amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405352
5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 68405499
4-N-[5-chloro-4-[6-(oxan-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405543
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(oxan-4-yl)pyridin-2-amine
CID 70794022
N'-[5-chloro-4-[5-(oxan-4-ylmethylamino)-3-pyridinyl]-2-pyridinyl]propane-1,3-diamine
CID 67630488
6-(5-chloro-3-pyridinyl)-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
CID 117817585

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548397) is 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(-c2cc(Cl)cnc2NC2CCOCC2)n1.
What is the InChIKey of 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is GFKWPUGTQVUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O/c1-8-18-13(21-14(16)19-8)11-6-9(15)7-17-12(11)20-10-2-4-22-5-3-10/h6-7,10H,2-5H2,1H3,(H,17,20)(H2,16,18,19,21).
What are the key properties of 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 320.78 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).