6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine

C19H24N6 — CID 46998060

IUPAC6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine
SMILESCc1nccn1CCC(Nc1cc(CCN)ncn1)c1ccccc1
InChIInChI=1S/C19H24N6/c1-15-21-10-12-25(15)11-8-18(16-5-3-2-4-6-16)24-19-13-17(7-9-20)22-14-23-19/h2-6,10,12-14,18H,7-9,11,20H2,1H3,(H,22,23,24)
InChIKeyHPTVAOZEKXFIIM-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.73
Rot. Bonds8

About 6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine

6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine (PubChem CID 46998060) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine
PubChem CID46998060
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine
SMILESCc1nccn1CCC(Nc1cc(CCN)ncn1)c1ccccc1
InChIInChI=1S/C19H24N6/c1-15-21-10-12-25(15)11-8-18(16-5-3-2-4-6-16)24-19-13-17(7-9-20)22-14-23-19/h2-6,10,12-14,18H,7-9,11,20H2,1H3,(H,22,23,24)
InChIKeyHPTVAOZEKXFIIM-UHFFFAOYSA-N
XLogP2.73
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
1-methyl-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96572217
formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide
CID 154910019
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide
CID 119061752
2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 77095447
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91796873
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea
CID 97434130
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanamine
CID 66409027
2-(4-methyl-1,4-diazepan-1-yl)-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]acetamide
CID 125160415
3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine
CID 62780394
methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62109290
N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine
CID 61240540

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine (CID 46998060) is 6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine is Cc1nccn1CCC(Nc1cc(CCN)ncn1)c1ccccc1.
What is the InChIKey of 6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine?
The InChIKey is HPTVAOZEKXFIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-15-21-10-12-25(15)11-8-18(16-5-3-2-4-6-16)24-19-13-17(7-9-20)22-14-23-19/h2-6,10,12-14,18H,7-9,11,20H2,1H3,(H,22,23,24).
What are the key properties of 6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine?
6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine is sourced from PubChem (CID 46998060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).