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

C21H31ClN4O3 — CID 171660840

IUPAC5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol
SMILESCCCC(CC)Oc1cc(-c2nc(N)ncc2Cl)cc(C)n1.OC1CCCOC1
InChIInChI=1S/C16H21ClN4O.C5H10O2/c1-4-6-12(5-2)22-14-8-11(7-10(3)20-14)15-13(17)9-19-16(18)21-15;6-5-2-1-3-7-4-5/h7-9,12H,4-6H2,1-3H3,(H2,18,19,21);5-6H,1-4H2
InChIKeyDCFVZPNDMITJDF-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.20
Rot. Bonds6

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

5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol (PubChem CID 171660840) has the molecular formula C21H31ClN4O3 and a molecular weight of 422.96 g/mol. Its IUPAC name is 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol
PubChem CID171660840
Molecular FormulaC21H31ClN4O3
Molecular Weight422.96 g/mol
Exact Mass422.21
IUPAC Name5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol
SMILESCCCC(CC)Oc1cc(-c2nc(N)ncc2Cl)cc(C)n1.OC1CCCOC1
InChIInChI=1S/C16H21ClN4O.C5H10O2/c1-4-6-12(5-2)22-14-8-11(7-10(3)20-14)15-13(17)9-19-16(18)21-15;6-5-2-1-3-7-4-5/h7-9,12H,4-6H2,1-3H3,(H2,18,19,21);5-6H,1-4H2
InChIKeyDCFVZPNDMITJDF-UHFFFAOYSA-N
XLogP4.20
TPSA103.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine
CID 171660841
5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol
CID 171660248
5-chloro-4-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]pyrimidin-2-amine;oxan-3-ol
CID 171660576
5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol
CID 171660077
5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol
CID 171661024
2-[6-(2-amino-5-chloropyrimidin-4-yl)-4-chloro-8-fluoroquinolin-3-yl]propan-2-ol;oxepan-3-ol
CID 176685721
5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol
CID 171661359
5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659515
5-chloro-4-[5-(4-methoxy-1-methylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyrimidin-2-amine;oxan-3-ol
CID 171661090
CID 171659458
CID 171659458
5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659961
5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659421

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol (CID 171660840) is 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol is CCCC(CC)Oc1cc(-c2nc(N)ncc2Cl)cc(C)n1.OC1CCCOC1.
What is the InChIKey of 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol?
The InChIKey is DCFVZPNDMITJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O.C5H10O2/c1-4-6-12(5-2)22-14-8-11(7-10(3)20-14)15-13(17)9-19-16(18)21-15;6-5-2-1-3-7-4-5/h7-9,12H,4-6H2,1-3H3,(H2,18,19,21);5-6H,1-4H2.
What are the key properties of 5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol?
5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol has a molecular weight of 422.96 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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;oxan-3-ol is sourced from PubChem (CID 171660840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).