1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol

C23H35N3O3 — CID 142653306

IUPAC1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol
SMILESCCCN(CCC)c1c(OC)nc(-c2c(C)cc(C)cc2OC)nc1C(O)CC
InChIInChI=1S/C23H35N3O3/c1-8-11-26(12-9-2)21-20(17(27)10-3)24-22(25-23(21)29-7)19-16(5)13-15(4)14-18(19)28-6/h13-14,17,27H,8-12H2,1-7H3
InChIKeyFYXMFGXXHDKHRO-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.85
Rot. Bonds10

About 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol

1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol (PubChem CID 142653306) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol
PubChem CID142653306
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol
SMILESCCCN(CCC)c1c(OC)nc(-c2c(C)cc(C)cc2OC)nc1C(O)CC
InChIInChI=1S/C23H35N3O3/c1-8-11-26(12-9-2)21-20(17(27)10-3)24-22(25-23(21)29-7)19-16(5)13-15(4)14-18(19)28-6/h13-14,17,27H,8-12H2,1-7H3
InChIKeyFYXMFGXXHDKHRO-UHFFFAOYSA-N
XLogP4.85
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol with MolForge

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Related Compounds

4-ethyl-6-methoxy-N,N-dipropyl-2-(2,4,6-trimethylphenyl)pyrimidin-5-amine
CID 10155162
2,4,6-trimethyl-N,N-dipropylaniline
CID 50937082
5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine
CID 10271246
N-ethyl-1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681143
1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol
CID 106680167
2-[3-(2-methoxy-4,6-dimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82479526
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
CID 106682520
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
(1R)-1-[6-(dipropylamino)-5-methyl-3-pyridinyl]propan-1-ol
CID 124501331
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol?
The IUPAC name of 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol (CID 142653306) is 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol?
The canonical SMILES for 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol is CCCN(CCC)c1c(OC)nc(-c2c(C)cc(C)cc2OC)nc1C(O)CC.
What is the InChIKey of 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol?
The InChIKey is FYXMFGXXHDKHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-8-11-26(12-9-2)21-20(17(27)10-3)24-22(25-23(21)29-7)19-16(5)13-15(4)14-18(19)28-6/h13-14,17,27H,8-12H2,1-7H3.
What are the key properties of 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol?
1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol has a molecular weight of 401.55 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol is sourced from PubChem (CID 142653306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).