5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine

C16H21ClN4O — CID 171660841

IUPAC5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCCCC(CC)Oc1cc(-c2nc(N)ncc2Cl)cc(C)n1
InChIInChI=1S/C16H21ClN4O/c1-4-6-12(5-2)22-14-8-11(7-10(3)20-14)15-13(17)9-19-16(18)21-15/h7-9,12H,4-6H2,1-3H3,(H2,18,19,21)
InChIKeyNGPBVJXRKUQFKH-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.04
Rot. Bonds6

About 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine

5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine (PubChem CID 171660841) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine
PubChem CID171660841
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCCCC(CC)Oc1cc(-c2nc(N)ncc2Cl)cc(C)n1
InChIInChI=1S/C16H21ClN4O/c1-4-6-12(5-2)22-14-8-11(7-10(3)20-14)15-13(17)9-19-16(18)21-15/h7-9,12H,4-6H2,1-3H3,(H2,18,19,21)
InChIKeyNGPBVJXRKUQFKH-UHFFFAOYSA-N
XLogP4.04
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine (CID 171660841) is 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine is CCCC(CC)Oc1cc(-c2nc(N)ncc2Cl)cc(C)n1.
What is the InChIKey of 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is NGPBVJXRKUQFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-4-6-12(5-2)22-14-8-11(7-10(3)20-14)15-13(17)9-19-16(18)21-15/h7-9,12H,4-6H2,1-3H3,(H2,18,19,21).
What are the key properties of 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine?
5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine has a molecular weight of 320.82 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 171660841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).