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

C9H17N3 — CID 130914659

IUPACN-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1(C)CC1NC1=NCCCN1
InChIInChI=1S/C9H17N3/c1-9(2)6-7(9)12-8-10-4-3-5-11-8/h7H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeySHFLAZAECJNFHC-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.72
Rot. Bonds1

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

N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 130914659) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID130914659
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1(C)CC1NC1=NCCCN1
InChIInChI=1S/C9H17N3/c1-9(2)6-7(9)12-8-10-4-3-5-11-8/h7H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeySHFLAZAECJNFHC-UHFFFAOYSA-N
XLogP0.72
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-2-methylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 164658995
N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 122125608
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 14063729
N-(3-ethoxyspiro[3.4]octan-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111757516
N-[(1S,2R)-2-cyclohexylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 99846918
N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 86777911
N-(2-cyclobutylpropan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 131223497
N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120665878
2-methyl-2-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclohexan-1-ol
CID 111722649
(2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol
CID 130685314
2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol
CID 130778822
N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120671121

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 130914659) is N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine is CC1(C)CC1NC1=NCCCN1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is SHFLAZAECJNFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2)6-7(9)12-8-10-4-3-5-11-8/h7H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 167.26 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 130914659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).