[1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C15H25N5O2 — CID 117091072

IUPAC[1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nccc(NCCN2CCOCC2)n1
InChIInChI=1S/C15H25N5O2/c21-12-13-2-1-6-20(13)15-17-4-3-14(18-15)16-5-7-19-8-10-22-11-9-19/h3-4,13,21H,1-2,5-12H2,(H,16,17,18)
InChIKeyWYMQFXIKFLVHOF-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.18
Rot. Bonds6

About [1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

[1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 117091072) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID117091072
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name[1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nccc(NCCN2CCOCC2)n1
InChIInChI=1S/C15H25N5O2/c21-12-13-2-1-6-20(13)15-17-4-3-14(18-15)16-5-7-19-8-10-22-11-9-19/h3-4,13,21H,1-2,5-12H2,(H,16,17,18)
InChIKeyWYMQFXIKFLVHOF-UHFFFAOYSA-N
XLogP0.18
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-3-Aminopyrrolidin-1-yl]-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-2-amine
CID 58227346
1-(Oxolan-2-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51081506
[1-[6-(4-Cyclopentyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144564
[1-[6-[(2-Methylpyrimidin-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144598
4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 72144614
3-(Methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118739425
(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 28961582
rac-(3R,4R)-N3-(pyrimidin-4-yl)oxane-3,4-diamine dihydrochloride
CID 132398603
rac-4-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 145874812
rac-(3R,4R)-N3-(2-methylpyrimidin-4-yl)oxane-3,4-diamine dihydrochloride
CID 165604794
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 28961603
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(propan-2-ylamino)methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 28961612

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 117091072) is [1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1nccc(NCCN2CCOCC2)n1.
What is the InChIKey of [1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is WYMQFXIKFLVHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c21-12-13-2-1-6-20(13)15-17-4-3-14(18-15)16-5-7-19-8-10-22-11-9-19/h3-4,13,21H,1-2,5-12H2,(H,16,17,18).
What are the key properties of [1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 307.40 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117091072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).