5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine

C16H23N5O — CID 56866702

IUPAC5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(-c2nccn2CC2CCOCC2)cn1
InChIInChI=1S/C16H23N5O/c1-2-5-18-16-19-10-14(11-20-16)15-17-6-7-21(15)12-13-3-8-22-9-4-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,18,19,20)
InChIKeyCPKKRDDOXKENCT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.59
Rot. Bonds6

About 5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine

5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine (PubChem CID 56866702) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine
PubChem CID56866702
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(-c2nccn2CC2CCOCC2)cn1
InChIInChI=1S/C16H23N5O/c1-2-5-18-16-19-10-14(11-20-16)15-17-6-7-21(15)12-13-3-8-22-9-4-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,18,19,20)
InChIKeyCPKKRDDOXKENCT-UHFFFAOYSA-N
XLogP2.59
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine (CID 56866702) is 5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine is CCCNc1ncc(-c2nccn2CC2CCOCC2)cn1.
What is the InChIKey of 5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine?
The InChIKey is CPKKRDDOXKENCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-2-5-18-16-19-10-14(11-20-16)15-17-6-7-21(15)12-13-3-8-22-9-4-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,18,19,20).
What are the key properties of 5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine?
5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine has a molecular weight of 301.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-4-ylmethyl)imidazol-2-yl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 56866702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).