2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride

C14H20ClN5O — CID 175693607

IUPAC2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride
SMILESCC1CC(Nc2ncc3c(n2)NC(=O)C32CC2)CCN1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-8-6-9(2-5-15-8)17-13-16-7-10-11(19-13)18-12(20)14(10)3-4-14;/h7-9,15H,2-6H2,1H3,(H2,16,17,18,19,20);1H
InChIKeyWAISPUIAHLKTGA-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.43
Rot. Bonds2

About 2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride

2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride (PubChem CID 175693607) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride.

Molecular Properties

Compound Name2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride
PubChem CID175693607
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride
SMILESCC1CC(Nc2ncc3c(n2)NC(=O)C32CC2)CCN1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-8-6-9(2-5-15-8)17-13-16-7-10-11(19-13)18-12(20)14(10)3-4-14;/h7-9,15H,2-6H2,1H3,(H2,16,17,18,19,20);1H
InChIKeyWAISPUIAHLKTGA-UHFFFAOYSA-N
XLogP1.43
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride?
The IUPAC name of 2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride (CID 175693607) is 2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride.
What is the SMILES notation for 2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride?
The canonical SMILES for 2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride is CC1CC(Nc2ncc3c(n2)NC(=O)C32CC2)CCN1.Cl.
What is the InChIKey of 2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride?
The InChIKey is WAISPUIAHLKTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-8-6-9(2-5-15-8)17-13-16-7-10-11(19-13)18-12(20)14(10)3-4-14;/h7-9,15H,2-6H2,1H3,(H2,16,17,18,19,20);1H.
What are the key properties of 2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride?
2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-4-yl)amino]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one;hydrochloride is sourced from PubChem (CID 175693607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).