3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol

C11H19N3O — CID 103708150

IUPAC3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol
SMILESCC(C)(CCO)CNCc1cncnc1
InChIInChI=1S/C11H19N3O/c1-11(2,3-4-15)8-12-5-10-6-13-9-14-7-10/h6-7,9,12,15H,3-5,8H2,1-2H3
InChIKeyPACUHEACWGICML-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.97
Rot. Bonds6

About 3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol

3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol (PubChem CID 103708150) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol
PubChem CID103708150
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol
SMILESCC(C)(CCO)CNCc1cncnc1
InChIInChI=1S/C11H19N3O/c1-11(2,3-4-15)8-12-5-10-6-13-9-14-7-10/h6-7,9,12,15H,3-5,8H2,1-2H3
InChIKeyPACUHEACWGICML-UHFFFAOYSA-N
XLogP0.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol
CID 111470754
3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol
CID 111470717
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
CID 104629634
2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 79551978
2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
CID 115623487
N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 103707998
4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708206
3,3-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]butan-1-ol
CID 111470752
2-chloro-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 113245011
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 104879273
3-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]benzoic acid
CID 114150242
4-[[4-(azepan-1-yl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
CID 111470651

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol (CID 103708150) is 3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol is CC(C)(CCO)CNCc1cncnc1.
What is the InChIKey of 3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol?
The InChIKey is PACUHEACWGICML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3-4-15)8-12-5-10-6-13-9-14-7-10/h6-7,9,12,15H,3-5,8H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol?
3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol is sourced from PubChem (CID 103708150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).