[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C21H29N5O2 — CID 133297512

IUPAC[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCc2cccc(CN3CCOCC3)c2)ncn1
InChIInChI=1S/C21H29N5O2/c27-15-19-5-2-6-26(19)21-12-20(23-16-24-21)22-13-17-3-1-4-18(11-17)14-25-7-9-28-10-8-25/h1,3-4,11-12,16,19,27H,2,5-10,13-15H2,(H,22,23,24)
InChIKeyMEBRHYZIVQMHQU-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.88
Rot. Bonds7

About [1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133297512) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133297512
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCc2cccc(CN3CCOCC3)c2)ncn1
InChIInChI=1S/C21H29N5O2/c27-15-19-5-2-6-26(19)21-12-20(23-16-24-21)22-13-17-3-1-4-18(11-17)14-25-7-9-28-10-8-25/h1,3-4,11-12,16,19,27H,2,5-10,13-15H2,(H,22,23,24)
InChIKeyMEBRHYZIVQMHQU-UHFFFAOYSA-N
XLogP1.88
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
[(2S)-1-[6-[(2-methoxy-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763890
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297325
[(2S)-1-[6-[(6-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763878
[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763960
[(2S)-1-[6-[(5-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763977
[1-[6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297397
[(2R)-1-[6-[(2-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763906
[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299300
[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95758167
[1-[6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133331301
[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 129490525

Frequently Asked Questions

What is the IUPAC name of [1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133297512) is [1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NCc2cccc(CN3CCOCC3)c2)ncn1.
What is the InChIKey of [1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is MEBRHYZIVQMHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-15-19-5-2-6-26(19)21-12-20(23-16-24-21)22-13-17-3-1-4-18(11-17)14-25-7-9-28-10-8-25/h1,3-4,11-12,16,19,27H,2,5-10,13-15H2,(H,22,23,24).
What are the key properties of [1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 383.50 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133297512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).