1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride

C17H27Cl2N5O — CID 154902473

IUPAC1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(NCCN3CCCC3=O)nc(C3CC3)n2)C1
InChIInChI=1S/C17H25N5O.2ClH/c18-13-8-12(9-13)14-10-15(21-17(20-14)11-3-4-11)19-5-7-22-6-1-2-16(22)23;;/h10-13H,1-9,18H2,(H,19,20,21);2*1H
InChIKeyXBXOIHFKGCCSGS-UHFFFAOYSA-N
MW388.34 g/mol
LogP2.44
Rot. Bonds6

About 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride

1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride (PubChem CID 154902473) has the molecular formula C17H27Cl2N5O and a molecular weight of 388.34 g/mol. Its IUPAC name is 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride
PubChem CID154902473
Molecular FormulaC17H27Cl2N5O
Molecular Weight388.34 g/mol
Exact Mass387.16
IUPAC Name1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(NCCN3CCCC3=O)nc(C3CC3)n2)C1
InChIInChI=1S/C17H25N5O.2ClH/c18-13-8-12(9-13)14-10-15(21-17(20-14)11-3-4-11)19-5-7-22-6-1-2-16(22)23;;/h10-13H,1-9,18H2,(H,19,20,21);2*1H
InChIKeyXBXOIHFKGCCSGS-UHFFFAOYSA-N
XLogP2.44
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride (CID 154902473) is 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride is Cl.Cl.NC1CC(c2cc(NCCN3CCCC3=O)nc(C3CC3)n2)C1.
What is the InChIKey of 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride?
The InChIKey is XBXOIHFKGCCSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.2ClH/c18-13-8-12(9-13)14-10-15(21-17(20-14)11-3-4-11)19-5-7-22-6-1-2-16(22)23;;/h10-13H,1-9,18H2,(H,19,20,21);2*1H.
What are the key properties of 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride?
1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride has a molecular weight of 388.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 154902473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).