4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine

C12H15N5 — CID 63868866

IUPAC4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCc1cccnc1-c1nc(N)nc(C(C)C)n1
InChIInChI=1S/C12H15N5/c1-7(2)10-15-11(17-12(13)16-10)9-8(3)5-4-6-14-9/h4-7H,1-3H3,(H2,13,15,16,17)
InChIKeyMXEKEBNEKHKEMS-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.95
Rot. Bonds2

About 4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 63868866) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID63868866
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCc1cccnc1-c1nc(N)nc(C(C)C)n1
InChIInChI=1S/C12H15N5/c1-7(2)10-15-11(17-12(13)16-10)9-8(3)5-4-6-14-9/h4-7H,1-3H3,(H2,13,15,16,17)
InChIKeyMXEKEBNEKHKEMS-UHFFFAOYSA-N
XLogP1.95
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 63868866) is 4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine is Cc1cccnc1-c1nc(N)nc(C(C)C)n1.
What is the InChIKey of 4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is MXEKEBNEKHKEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-7(2)10-15-11(17-12(13)16-10)9-8(3)5-4-6-14-9/h4-7H,1-3H3,(H2,13,15,16,17).
What are the key properties of 4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-pyridinyl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).