2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol

C10H17N3O — CID 64558196

IUPAC2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(C)(CO)Nc1cc(C)ncn1
InChIInChI=1S/C10H17N3O/c1-4-10(3,6-14)13-9-5-8(2)11-7-12-9/h5,7,14H,4,6H2,1-3H3,(H,11,12,13)
InChIKeyBSYDTIKZJZKUBA-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.36
Rot. Bonds4

About 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol

2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 64558196) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID64558196
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(C)(CO)Nc1cc(C)ncn1
InChIInChI=1S/C10H17N3O/c1-4-10(3,6-14)13-9-5-8(2)11-7-12-9/h5,7,14H,4,6H2,1-3H3,(H,11,12,13)
InChIKeyBSYDTIKZJZKUBA-UHFFFAOYSA-N
XLogP1.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol (CID 64558196) is 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol is CCC(C)(CO)Nc1cc(C)ncn1.
What is the InChIKey of 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is BSYDTIKZJZKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-10(3,6-14)13-9-5-8(2)11-7-12-9/h5,7,14H,4,6H2,1-3H3,(H,11,12,13).
What are the key properties of 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol?
2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 64558196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).