3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide

C18H25N7O — CID 166277590

IUPAC3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide
SMILESCNc1cc(N2CCCC2CNC(=O)C2CC(n3ccnc3)C2)ncn1
InChIInChI=1S/C18H25N7O/c1-19-16-9-17(23-11-22-16)25-5-2-3-14(25)10-21-18(26)13-7-15(8-13)24-6-4-20-12-24/h4,6,9,11-15H,2-3,5,7-8,10H2,1H3,(H,21,26)(H,19,22,23)
InChIKeyAMSRETOTSHNEBR-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.45
Rot. Bonds6

About 3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide

3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 166277590) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide
PubChem CID166277590
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide
SMILESCNc1cc(N2CCCC2CNC(=O)C2CC(n3ccnc3)C2)ncn1
InChIInChI=1S/C18H25N7O/c1-19-16-9-17(23-11-22-16)25-5-2-3-14(25)10-21-18(26)13-7-15(8-13)24-6-4-20-12-24/h4,6,9,11-15H,2-3,5,7-8,10H2,1H3,(H,21,26)(H,19,22,23)
InChIKeyAMSRETOTSHNEBR-UHFFFAOYSA-N
XLogP1.45
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004296
3,3-difluoro-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]butanamide
CID 136536244
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
CID 146089677
N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 146087317
6-[2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 136517302
N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
CID 119126315
N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 146089483
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806703

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide (CID 166277590) is 3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide is CNc1cc(N2CCCC2CNC(=O)C2CC(n3ccnc3)C2)ncn1.
What is the InChIKey of 3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is AMSRETOTSHNEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-19-16-9-17(23-11-22-16)25-5-2-3-14(25)10-21-18(26)13-7-15(8-13)24-6-4-20-12-24/h4,6,9,11-15H,2-3,5,7-8,10H2,1H3,(H,21,26)(H,19,22,23).
What are the key properties of 3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide?
3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166277590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).