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

C10H21N3O — CID 130778822

IUPAC2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol
SMILESCCC(NC1=NCCCN1)C(C)(C)O
InChIInChI=1S/C10H21N3O/c1-4-8(10(2,3)14)13-9-11-6-5-7-12-9/h8,14H,4-7H2,1-3H3,(H2,11,12,13)
InChIKeyVDALIKSQXGPUHQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.47
Rot. Bonds3

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

2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol (PubChem CID 130778822) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol
PubChem CID130778822
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol
SMILESCCC(NC1=NCCCN1)C(C)(C)O
InChIInChI=1S/C10H21N3O/c1-4-8(10(2,3)14)13-9-11-6-5-7-12-9/h8,14H,4-7H2,1-3H3,(H2,11,12,13)
InChIKeyVDALIKSQXGPUHQ-UHFFFAOYSA-N
XLogP0.47
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.47
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)pentan-2-ol?
The IUPAC name of 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol (CID 130778822) is 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol is CCC(NC1=NCCCN1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol?
The InChIKey is VDALIKSQXGPUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-8(10(2,3)14)13-9-11-6-5-7-12-9/h8,14H,4-7H2,1-3H3,(H2,11,12,13).
What are the key properties of 2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol?
2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol has a molecular weight of 199.30 g/mol, XLogP of 0.47, 3 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)pentan-2-ol is sourced from PubChem (CID 130778822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).