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

C13H23N3O — CID 115697086

IUPAC3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1cc(NC(C)(C)CCO)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)12-14-10(3)8-11(15-12)16-13(4,5)6-7-17/h8-9,17H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyYAQBGQFFNBAWQP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.48
Rot. Bonds5

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

3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 115697086) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID115697086
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1cc(NC(C)(C)CCO)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)12-14-10(3)8-11(15-12)16-13(4,5)6-7-17/h8-9,17H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyYAQBGQFFNBAWQP-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 106097339
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113240528
2-N,2-N,2-trimethyl-1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
CID 54941206
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 64541513
6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 113461550
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 79563522

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol (CID 115697086) is 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol is Cc1cc(NC(C)(C)CCO)nc(C(C)C)n1.
What is the InChIKey of 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is YAQBGQFFNBAWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)12-14-10(3)8-11(15-12)16-13(4,5)6-7-17/h8-9,17H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 115697086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).