4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine

C14H24N4O — CID 80853652

IUPAC4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCOC2)c1CCC
InChIInChI=1S/C14H24N4O/c1-3-5-12-13(15-7-4-2)16-10-17-14(12)18-11-6-8-19-9-11/h10-11H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyCZXYGBQHDKUSKV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.45
Rot. Bonds7

About 4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine

4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 80853652) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID80853652
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCOC2)c1CCC
InChIInChI=1S/C14H24N4O/c1-3-5-12-13(15-7-4-2)16-10-17-14(12)18-11-6-8-19-9-11/h10-11H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyCZXYGBQHDKUSKV-UHFFFAOYSA-N
XLogP2.45
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine (CID 80853652) is 4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(NC2CCOC2)c1CCC.
What is the InChIKey of 4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is CZXYGBQHDKUSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-5-12-13(15-7-4-2)16-10-17-14(12)18-11-6-8-19-9-11/h10-11H,3-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80853652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).