[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride

C16H27Cl2N5O2 — CID 155938932

IUPAC[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCc1cc(N2CCN(C(=O)[C@H]3C[C@@H](N)[C@H](O)C3)CC2)ncn1.Cl.Cl
InChIInChI=1S/C16H25N5O2.2ClH/c1-2-12-9-15(19-10-18-12)20-3-5-21(6-4-20)16(23)11-7-13(17)14(22)8-11;;/h9-11,13-14,22H,2-8,17H2,1H3;2*1H/t11-,13+,14+;;/m0../s1
InChIKeyKTJSMNFOYBYGCA-GTHDFCBYSA-N
MW392.33 g/mol
LogP0.63
Rot. Bonds3

About [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride

[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 155938932) has the molecular formula C16H27Cl2N5O2 and a molecular weight of 392.33 g/mol. Its IUPAC name is [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID155938932
Molecular FormulaC16H27Cl2N5O2
Molecular Weight392.33 g/mol
Exact Mass391.15
IUPAC Name[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCc1cc(N2CCN(C(=O)[C@H]3C[C@@H](N)[C@H](O)C3)CC2)ncn1.Cl.Cl
InChIInChI=1S/C16H25N5O2.2ClH/c1-2-12-9-15(19-10-18-12)20-3-5-21(6-4-20)16(23)11-7-13(17)14(22)8-11;;/h9-11,13-14,22H,2-8,17H2,1H3;2*1H/t11-,13+,14+;;/m0../s1
InChIKeyKTJSMNFOYBYGCA-GTHDFCBYSA-N
XLogP0.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 91785161
2,5-dihydro-1H-pyrrol-2-yl-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 154911487
[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 125443911
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97443810
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603398
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 155938836
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
N-[[(1R,2S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxamide
CID 121494831
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 72892433
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
cyclopentyl-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343339

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride (CID 155938932) is [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride is CCc1cc(N2CCN(C(=O)[C@H]3C[C@@H](N)[C@H](O)C3)CC2)ncn1.Cl.Cl.
What is the InChIKey of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is KTJSMNFOYBYGCA-GTHDFCBYSA-N. The full InChI is InChI=1S/C16H25N5O2.2ClH/c1-2-12-9-15(19-10-18-12)20-3-5-21(6-4-20)16(23)11-7-13(17)14(22)8-11;;/h9-11,13-14,22H,2-8,17H2,1H3;2*1H/t11-,13+,14+;;/m0../s1.
What are the key properties of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride?
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 392.33 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 155938932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).