N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine

C13H19N5 — CID 2945459

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine
SMILESCc1cc(C)nc(NC2=NC3CCCCC3N2)n1
InChIInChI=1S/C13H19N5/c1-8-7-9(2)15-12(14-8)18-13-16-10-5-3-4-6-11(10)17-13/h7,10-11H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyKIPAFZNQLYQZBG-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.78
Rot. Bonds1

About N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine

N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine (PubChem CID 2945459) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine
PubChem CID2945459
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine
SMILESCc1cc(C)nc(NC2=NC3CCCCC3N2)n1
InChIInChI=1S/C13H19N5/c1-8-7-9(2)15-12(14-8)18-13-16-10-5-3-4-6-11(10)17-13/h7,10-11H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyKIPAFZNQLYQZBG-UHFFFAOYSA-N
XLogP1.78
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine with MolForge

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Related Compounds

4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-Ethyl-6-[3-(methylamino)-1-azetidinyl]-2-pyrimidinamine
CID 42623567
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46225979
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
CID 53258370
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 53378928
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydro-1H-imidazole-1-carbothioamide
CID 753519
1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
N,4,6-Trimethyl-2-pyrimidinamine
CID 12223747
N-cyclohexyl-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carboxamide
CID 938501
2-N-cyclohexyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225981

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine (CID 2945459) is N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine is Cc1cc(C)nc(NC2=NC3CCCCC3N2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine?
The InChIKey is KIPAFZNQLYQZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8-7-9(2)15-12(14-8)18-13-16-10-5-3-4-6-11(10)17-13/h7,10-11H,3-6H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine?
N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine is sourced from PubChem (CID 2945459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).