[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C20H28N6O — CID 133297325

IUPAC[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCc2ccnc(N3CCCCC3)c2)ncn1
InChIInChI=1S/C20H28N6O/c27-14-17-5-4-10-26(17)20-12-18(23-15-24-20)22-13-16-6-7-21-19(11-16)25-8-2-1-3-9-25/h6-7,11-12,15,17,27H,1-5,8-10,13-14H2,(H,22,23,24)
InChIKeyUXVBVENQEGOFJG-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.44
Rot. Bonds6

About [1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133297325) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is [1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133297325
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCc2ccnc(N3CCCCC3)c2)ncn1
InChIInChI=1S/C20H28N6O/c27-14-17-5-4-10-26(17)20-12-18(23-15-24-20)22-13-16-6-7-21-19(11-16)25-8-2-1-3-9-25/h6-7,11-12,15,17,27H,1-5,8-10,13-14H2,(H,22,23,24)
InChIKeyUXVBVENQEGOFJG-UHFFFAOYSA-N
XLogP2.44
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

[(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]piperidin-3-yl]methanol
CID 133297322
[(2S)-1-[6-[(6-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763878
[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297512
[(2S)-1-[6-[(5-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763977
[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763960
[(2R)-1-[6-[(2-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763906
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111427840
[1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133382245
2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
CID 122047255
[1-[6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133331301

Frequently Asked Questions

What is the IUPAC name of [1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133297325) is [1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NCc2ccnc(N3CCCCC3)c2)ncn1.
What is the InChIKey of [1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is UXVBVENQEGOFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-14-17-5-4-10-26(17)20-12-18(23-15-24-20)22-13-16-6-7-21-19(11-16)25-8-2-1-3-9-25/h6-7,11-12,15,17,27H,1-5,8-10,13-14H2,(H,22,23,24).
What are the key properties of [1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 368.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133297325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).