4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine

C15H20N4O — CID 22052133

IUPAC4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine
SMILESCOCC(C)c1ccnc(C)c1-c1ccnc(N)c1N
InChIInChI=1S/C15H20N4O/c1-9(8-20-3)11-4-6-18-10(2)13(11)12-5-7-19-15(17)14(12)16/h4-7,9H,8,16H2,1-3H3,(H2,17,19)
InChIKeyIWVVUJZVEBNQPG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.37
Rot. Bonds4

About 4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine

4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine (PubChem CID 22052133) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine
PubChem CID22052133
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine
SMILESCOCC(C)c1ccnc(C)c1-c1ccnc(N)c1N
InChIInChI=1S/C15H20N4O/c1-9(8-20-3)11-4-6-18-10(2)13(11)12-5-7-19-15(17)14(12)16/h4-7,9H,8,16H2,1-3H3,(H2,17,19)
InChIKeyIWVVUJZVEBNQPG-UHFFFAOYSA-N
XLogP2.37
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine?
The IUPAC name of 4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine (CID 22052133) is 4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine.
What is the SMILES notation for 4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine?
The canonical SMILES for 4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine is COCC(C)c1ccnc(C)c1-c1ccnc(N)c1N.
What is the InChIKey of 4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine?
The InChIKey is IWVVUJZVEBNQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(8-20-3)11-4-6-18-10(2)13(11)12-5-7-19-15(17)14(12)16/h4-7,9H,8,16H2,1-3H3,(H2,17,19).
What are the key properties of 4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine?
4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methoxypropan-2-yl)-2-methyl-3-pyridinyl]pyridine-2,3-diamine is sourced from PubChem (CID 22052133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).