[1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C19H23FN4O — CID 133311452

IUPAC[1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCC2(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C19H23FN4O/c20-16-6-2-1-5-15(16)19(7-8-19)12-21-17-10-18(23-13-22-17)24-9-3-4-14(24)11-25/h1-2,5-6,10,13-14,25H,3-4,7-9,11-12H2,(H,21,22,23)
InChIKeyZGFQPXXZDOHJAW-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.72
Rot. Bonds6

About [1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133311452) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133311452
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCC2(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C19H23FN4O/c20-16-6-2-1-5-15(16)19(7-8-19)12-21-17-10-18(23-13-22-17)24-9-3-4-14(24)11-25/h1-2,5-6,10,13-14,25H,3-4,7-9,11-12H2,(H,21,22,23)
InChIKeyZGFQPXXZDOHJAW-UHFFFAOYSA-N
XLogP2.72
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133491863
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
[1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133382245
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495720
[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299300
1-(4-chloro-3-fluorophenyl)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133411946
[1-[6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133331301
2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
CID 122047255
[1-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133399563
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864

Frequently Asked Questions

What is the IUPAC name of [1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133311452) is [1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NCC2(c3ccccc3F)CC2)ncn1.
What is the InChIKey of [1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ZGFQPXXZDOHJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-16-6-2-1-5-15(16)19(7-8-19)12-21-17-10-18(23-13-22-17)24-9-3-4-14(24)11-25/h1-2,5-6,10,13-14,25H,3-4,7-9,11-12H2,(H,21,22,23).
What are the key properties of [1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 342.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133311452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).