[1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C21H28N4O2 — CID 133491863

IUPAC[1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccccc1C1(CNc2cc(N3CCCC3CO)ncn2)CCC1
InChIInChI=1S/C21H28N4O2/c1-27-18-8-3-2-7-17(18)21(9-5-10-21)14-22-19-12-20(24-15-23-19)25-11-4-6-16(25)13-26/h2-3,7-8,12,15-16,26H,4-6,9-11,13-14H2,1H3,(H,22,23,24)
InChIKeyPTGGLRZIDAIAON-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.98
Rot. Bonds7

About [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133491863) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133491863
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccccc1C1(CNc2cc(N3CCCC3CO)ncn2)CCC1
InChIInChI=1S/C21H28N4O2/c1-27-18-8-3-2-7-17(18)21(9-5-10-21)14-22-19-12-20(24-15-23-19)25-11-4-6-16(25)13-26/h2-3,7-8,12,15-16,26H,4-6,9-11,13-14H2,1H3,(H,22,23,24)
InChIKeyPTGGLRZIDAIAON-UHFFFAOYSA-N
XLogP2.98
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133311452
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
[1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133382245
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[(2S)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763919
[(2R)-1-[6-[(2-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763906
[(2R)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763918
[1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133361728
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495720
[(2S)-1-[6-[(2-methoxy-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763890

Frequently Asked Questions

What is the IUPAC name of [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133491863) is [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is COc1ccccc1C1(CNc2cc(N3CCCC3CO)ncn2)CCC1.
What is the InChIKey of [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is PTGGLRZIDAIAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-18-8-3-2-7-17(18)21(9-5-10-21)14-22-19-12-20(24-15-23-19)25-11-4-6-16(25)13-26/h2-3,7-8,12,15-16,26H,4-6,9-11,13-14H2,1H3,(H,22,23,24).
What are the key properties of [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 368.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133491863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).