4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol

C12H21N3O — CID 106348940

IUPAC4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1ccncn1
InChIInChI=1S/C12H21N3O/c1-12(2,3)11(5-7-16)14-8-10-4-6-13-9-15-10/h4,6,9,11,14,16H,5,7-8H2,1-3H3
InChIKeySQYDOPYRFKIUTG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.36
Rot. Bonds5

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

4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol (PubChem CID 106348940) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol
PubChem CID106348940
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1ccncn1
InChIInChI=1S/C12H21N3O/c1-12(2,3)11(5-7-16)14-8-10-4-6-13-9-15-10/h4,6,9,11,14,16H,5,7-8H2,1-3H3
InChIKeySQYDOPYRFKIUTG-UHFFFAOYSA-N
XLogP1.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol (CID 106348940) is 4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol is CC(C)(C)C(CCO)NCc1ccncn1.
What is the InChIKey of 4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol?
The InChIKey is SQYDOPYRFKIUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)11(5-7-16)14-8-10-4-6-13-9-15-10/h4,6,9,11,14,16H,5,7-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol?
4,4-dimethyl-3-(pyrimidin-4-ylmethylamino)pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.36, 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-(pyrimidin-4-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 106348940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).