6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine

C14H22N4 — CID 78929951

IUPAC6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine
SMILESNc1cc(N2CCC3(CCCCC3)CC2)ncn1
InChIInChI=1S/C14H22N4/c15-12-10-13(17-11-16-12)18-8-6-14(7-9-18)4-2-1-3-5-14/h10-11H,1-9H2,(H2,15,16,17)
InChIKeyVBCMVHCKDFKXEI-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.61
Rot. Bonds1

About 6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine

6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine (PubChem CID 78929951) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine
PubChem CID78929951
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine
SMILESNc1cc(N2CCC3(CCCCC3)CC2)ncn1
InChIInChI=1S/C14H22N4/c15-12-10-13(17-11-16-12)18-8-6-14(7-9-18)4-2-1-3-5-14/h10-11H,1-9H2,(H2,15,16,17)
InChIKeyVBCMVHCKDFKXEI-UHFFFAOYSA-N
XLogP2.61
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine (CID 78929951) is 6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine is Nc1cc(N2CCC3(CCCCC3)CC2)ncn1.
What is the InChIKey of 6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine?
The InChIKey is VBCMVHCKDFKXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-12-10-13(17-11-16-12)18-8-6-14(7-9-18)4-2-1-3-5-14/h10-11H,1-9H2,(H2,15,16,17).
What are the key properties of 6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine?
6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 78929951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).