2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol

C9H19N3O — CID 127013524

IUPAC2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol
SMILESCC(NC1=NCCCN1)C(C)(C)O
InChIInChI=1S/C9H19N3O/c1-7(9(2,3)13)12-8-10-5-4-6-11-8/h7,13H,4-6H2,1-3H3,(H2,10,11,12)
InChIKeyQLEWDYDCMYVFKS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.08
Rot. Bonds2

About 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol

2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol (PubChem CID 127013524) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol
PubChem CID127013524
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol
SMILESCC(NC1=NCCCN1)C(C)(C)O
InChIInChI=1S/C9H19N3O/c1-7(9(2,3)13)12-8-10-5-4-6-11-8/h7,13H,4-6H2,1-3H3,(H2,10,11,12)
InChIKeyQLEWDYDCMYVFKS-UHFFFAOYSA-N
XLogP0.08
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol?
The IUPAC name of 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol (CID 127013524) is 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol is CC(NC1=NCCCN1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol?
The InChIKey is QLEWDYDCMYVFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(9(2,3)13)12-8-10-5-4-6-11-8/h7,13H,4-6H2,1-3H3,(H2,10,11,12).
What are the key properties of 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol?
2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol has a molecular weight of 185.27 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol is sourced from PubChem (CID 127013524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).