N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

C11H21N3 — CID 131223497

IUPACN-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(NC1=NCCCN1)C1CCC1
InChIInChI=1S/C11H21N3/c1-11(2,9-5-3-6-9)14-10-12-7-4-8-13-10/h9H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyHATBHAFWIRIRDR-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.50
Rot. Bonds2

About N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 131223497) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID131223497
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(NC1=NCCCN1)C1CCC1
InChIInChI=1S/C11H21N3/c1-11(2,9-5-3-6-9)14-10-12-7-4-8-13-10/h9H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyHATBHAFWIRIRDR-UHFFFAOYSA-N
XLogP1.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 14063729
N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 167233694
N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
CID 110918477
2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol
CID 127013524
N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 130914659
N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111428530
N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465883
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112567
5-(2-cyclobutylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione
CID 131014931
N-(2-cyclopentylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 130014375
2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol
CID 130778822
N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915612

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 131223497) is N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is CC(C)(NC1=NCCCN1)C1CCC1.
What is the InChIKey of N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is HATBHAFWIRIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,9-5-3-6-9)14-10-12-7-4-8-13-10/h9H,3-8H2,1-2H3,(H2,12,13,14).
What are the key properties of N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 131223497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).