4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol

C15H27N3O — CID 103764890

IUPAC4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCc1cc(NC(CCO)C(C)(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-10(2)14-16-11(3)9-13(18-14)17-12(7-8-19)15(4,5)6/h9-10,12,19H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyTWPYLNPXFQVLJV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.12
Rot. Bonds5

About 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol

4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 103764890) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
PubChem CID103764890
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCc1cc(NC(CCO)C(C)(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-10(2)14-16-11(3)9-13(18-14)17-12(7-8-19)15(4,5)6/h9-10,12,19H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyTWPYLNPXFQVLJV-UHFFFAOYSA-N
XLogP3.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol with MolForge

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Related Compounds

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358372
3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 115697086
2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113240528
3-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114177404
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704
6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 43419817
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358242
6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 113461550
N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 79267121
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352656
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol (CID 103764890) is 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol is Cc1cc(NC(CCO)C(C)(C)C)nc(C(C)C)n1.
What is the InChIKey of 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is TWPYLNPXFQVLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)14-16-11(3)9-13(18-14)17-12(7-8-19)15(4,5)6/h9-10,12,19H,7-8H2,1-6H3,(H,16,17,18).
What are the key properties of 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol?
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 103764890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).