N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine

C12H17N5O — CID 112638009

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C12H17N5O/c1-9(2)18-11-4-6-15-12(17-11)14-5-3-10-7-13-8-16-10/h4,6-9H,3,5H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyPWGCDFLOOCMXMN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112638009) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112638009
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C12H17N5O/c1-9(2)18-11-4-6-15-12(17-11)14-5-3-10-7-13-8-16-10/h4,6-9H,3,5H2,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyPWGCDFLOOCMXMN-UHFFFAOYSA-N
XLogP1.64
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106404662
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106048968
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637612
N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865738
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
N-[2-(2,4-dichlorophenyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115974417
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639457

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine (CID 112638009) is N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCCc2cnc[nH]2)n1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is PWGCDFLOOCMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(2)18-11-4-6-15-12(17-11)14-5-3-10-7-13-8-16-10/h4,6-9H,3,5H2,1-2H3,(H,13,16)(H,14,15,17).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112638009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).