N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine

C13H19N5 — CID 61242268

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCc2nccn2C)ncn1
InChIInChI=1S/C13H19N5/c1-3-4-11-9-12(17-10-16-11)14-6-5-13-15-7-8-18(13)2/h7-10H,3-6H2,1-2H3,(H,14,16,17)
InChIKeyCPZZXGLZIPEQRX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine (PubChem CID 61242268) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
PubChem CID61242268
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCc2nccn2C)ncn1
InChIInChI=1S/C13H19N5/c1-3-4-11-9-12(17-10-16-11)14-6-5-13-15-7-8-18(13)2/h7-10H,3-6H2,1-2H3,(H,14,16,17)
InChIKeyCPZZXGLZIPEQRX-UHFFFAOYSA-N
XLogP1.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 138030384
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329570
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109
4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80816885
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80908147
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
azane;1-methyl-2-propylimidazole
CID 174525892
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine (CID 61242268) is N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine is CCCc1cc(NCCc2nccn2C)ncn1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine?
The InChIKey is CPZZXGLZIPEQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-4-11-9-12(17-10-16-11)14-6-5-13-15-7-8-18(13)2/h7-10H,3-6H2,1-2H3,(H,14,16,17).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 61242268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).