6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine

C20H30N6O — CID 129007972

IUPAC6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine
SMILESCC(C)C1OCCCC1Nc1cc(N2CCC(n3ccnc3)CC2)ncn1
InChIInChI=1S/C20H30N6O/c1-15(2)20-17(4-3-11-27-20)24-18-12-19(23-13-22-18)25-8-5-16(6-9-25)26-10-7-21-14-26/h7,10,12-17,20H,3-6,8-9,11H2,1-2H3,(H,22,23,24)
InChIKeyGQFIJYVONDEMTB-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.13
Rot. Bonds5

About 6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine

6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine (PubChem CID 129007972) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine
PubChem CID129007972
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine
SMILESCC(C)C1OCCCC1Nc1cc(N2CCC(n3ccnc3)CC2)ncn1
InChIInChI=1S/C20H30N6O/c1-15(2)20-17(4-3-11-27-20)24-18-12-19(23-13-22-18)25-8-5-16(6-9-25)26-10-7-21-14-26/h7,10,12-17,20H,3-6,8-9,11H2,1-2H3,(H,22,23,24)
InChIKeyGQFIJYVONDEMTB-UHFFFAOYSA-N
XLogP3.13
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine (CID 129007972) is 6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine is CC(C)C1OCCCC1Nc1cc(N2CCC(n3ccnc3)CC2)ncn1.
What is the InChIKey of 6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine?
The InChIKey is GQFIJYVONDEMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15(2)20-17(4-3-11-27-20)24-18-12-19(23-13-22-18)25-8-5-16(6-9-25)26-10-7-21-14-26/h7,10,12-17,20H,3-6,8-9,11H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine?
6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine has a molecular weight of 370.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 129007972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).