6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine

C9H12N4 — CID 114561957

IUPAC6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
SMILESNc1cc(N2CC=CCC2)ncn1
InChIInChI=1S/C9H12N4/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h1-2,6-7H,3-5H2,(H2,10,11,12)
InChIKeyUQOCMBGDTZUERC-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.83
Rot. Bonds1

About 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine

6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine (PubChem CID 114561957) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
PubChem CID114561957
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
SMILESNc1cc(N2CC=CCC2)ncn1
InChIInChI=1S/C9H12N4/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h1-2,6-7H,3-5H2,(H2,10,11,12)
InChIKeyUQOCMBGDTZUERC-UHFFFAOYSA-N
XLogP0.83
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile
CID 130173880
1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674394
6-thiomorpholin-4-ylpyrimidin-4-amine
CID 13394191
6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 78929760
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-amine
CID 115969557
6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine
CID 129261237
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine
CID 121206002
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine
CID 78929951
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80831853
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine (CID 114561957) is 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine is Nc1cc(N2CC=CCC2)ncn1.
What is the InChIKey of 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine?
The InChIKey is UQOCMBGDTZUERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h1-2,6-7H,3-5H2,(H2,10,11,12).
What are the key properties of 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine?
6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine has a molecular weight of 176.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 114561957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).