4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine

C10H13N3 — CID 59283470

IUPAC4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine
SMILESCC(C)C1=CC=NC2=CC=NCN21
InChIInChI=1S/C10H13N3/c1-8(2)9-3-6-12-10-4-5-11-7-13(9)10/h3-6,8H,7H2,1-2H3
InChIKeyHOEDHKXKMYNFJM-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.80
Rot. Bonds1

About 4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine

4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine (PubChem CID 59283470) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine
PubChem CID59283470
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine
SMILESCC(C)C1=CC=NC2=CC=NCN21
InChIInChI=1S/C10H13N3/c1-8(2)9-3-6-12-10-4-5-11-7-13(9)10/h3-6,8H,7H2,1-2H3
InChIKeyHOEDHKXKMYNFJM-UHFFFAOYSA-N
XLogP1.80
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine?
The IUPAC name of 4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine (CID 59283470) is 4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine.
What is the SMILES notation for 4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine?
The canonical SMILES for 4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine is CC(C)C1=CC=NC2=CC=NCN21.
What is the InChIKey of 4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine?
The InChIKey is HOEDHKXKMYNFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(2)9-3-6-12-10-4-5-11-7-13(9)10/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine?
4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine has a molecular weight of 175.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine is sourced from PubChem (CID 59283470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).