2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H20N6 — CID 66274240

IUPAC2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(-c2cnccc2C)nc(N(C)C)n1
InChIInChI=1S/C14H20N6/c1-5-7-16-13-17-12(18-14(19-13)20(3)4)11-9-15-8-6-10(11)2/h6,8-9H,5,7H2,1-4H3,(H,16,17,18,19)
InChIKeyBKLMYZSSPMIITP-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.13
Rot. Bonds5

About 2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 66274240) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID66274240
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(-c2cnccc2C)nc(N(C)C)n1
InChIInChI=1S/C14H20N6/c1-5-7-16-13-17-12(18-14(19-13)20(3)4)11-9-15-8-6-10(11)2/h6,8-9H,5,7H2,1-4H3,(H,16,17,18,19)
InChIKeyBKLMYZSSPMIITP-UHFFFAOYSA-N
XLogP2.13
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 66274240) is 2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(-c2cnccc2C)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BKLMYZSSPMIITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-5-7-16-13-17-12(18-14(19-13)20(3)4)11-9-15-8-6-10(11)2/h6,8-9H,5,7H2,1-4H3,(H,16,17,18,19).
What are the key properties of 2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 272.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66274240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).