(5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine

C10H22N4 — CID 58090049

IUPAC(5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine
SMILESCC(C)(C)CCN1C[C@@H](N)CN=C1N
InChIInChI=1S/C10H22N4/c1-10(2,3)4-5-14-7-8(11)6-13-9(14)12/h8H,4-7,11H2,1-3H3,(H2,12,13)/t8-/m0/s1
InChIKeyLOUCMUXZVDFNLZ-QMMMGPOBSA-N
MW198.31 g/mol
LogP0.38
Rot. Bonds2

About (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine

(5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine (PubChem CID 58090049) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine.

Molecular Properties

Compound Name(5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine
PubChem CID58090049
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name(5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine
SMILESCC(C)(C)CCN1C[C@@H](N)CN=C1N
InChIInChI=1S/C10H22N4/c1-10(2,3)4-5-14-7-8(11)6-13-9(14)12/h8H,4-7,11H2,1-3H3,(H2,12,13)/t8-/m0/s1
InChIKeyLOUCMUXZVDFNLZ-QMMMGPOBSA-N
XLogP0.38
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine?
The IUPAC name of (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine (CID 58090049) is (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine.
What is the SMILES notation for (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine?
The canonical SMILES for (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine is CC(C)(C)CCN1C[C@@H](N)CN=C1N.
What is the InChIKey of (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine?
The InChIKey is LOUCMUXZVDFNLZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N4/c1-10(2,3)4-5-14-7-8(11)6-13-9(14)12/h8H,4-7,11H2,1-3H3,(H2,12,13)/t8-/m0/s1.
What are the key properties of (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine?
(5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine is sourced from PubChem (CID 58090049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).