3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol

C10H17N3O — CID 78997265

IUPAC3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCc1cc(NC(C)CCO)ncn1
InChIInChI=1S/C10H17N3O/c1-3-9-6-10(12-7-11-9)13-8(2)4-5-14/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyNXWKHWSFCGCXGA-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.22
Rot. Bonds5

About 3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol

3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 78997265) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID78997265
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCc1cc(NC(C)CCO)ncn1
InChIInChI=1S/C10H17N3O/c1-3-9-6-10(12-7-11-9)13-8(2)4-5-14/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyNXWKHWSFCGCXGA-UHFFFAOYSA-N
XLogP1.22
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol (CID 78997265) is 3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol is CCc1cc(NC(C)CCO)ncn1.
What is the InChIKey of 3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is NXWKHWSFCGCXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-9-6-10(12-7-11-9)13-8(2)4-5-14/h6-8,14H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol?
3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 78997265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).