(3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol

C17H25N5O — CID 146111644

IUPAC(3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNC[C@H]1C[C@@H](O)CN1c1cc(N2CC=CCC3(CC3)C2)ncn1
InChIInChI=1S/C17H25N5O/c18-9-13-7-14(23)10-22(13)16-8-15(19-12-20-16)21-6-2-1-3-17(11-21)4-5-17/h1-2,8,12-14,23H,3-7,9-11,18H2/t13-,14-/m1/s1
InChIKeyMJIGBNNPLVWGPZ-ZIAGYGMSSA-N
MW315.42 g/mol
LogP0.92
Rot. Bonds3

About (3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol

(3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 146111644) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID146111644
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNC[C@H]1C[C@@H](O)CN1c1cc(N2CC=CCC3(CC3)C2)ncn1
InChIInChI=1S/C17H25N5O/c18-9-13-7-14(23)10-22(13)16-8-15(19-12-20-16)21-6-2-1-3-17(11-21)4-5-17/h1-2,8,12-14,23H,3-7,9-11,18H2/t13-,14-/m1/s1
InChIKeyMJIGBNNPLVWGPZ-ZIAGYGMSSA-N
XLogP0.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-1-pyridin-2-ylpyrrolidin-3-ol
CID 130855888
(3R,5R)-5-(aminomethyl)-1-[6-[[1-(3-chlorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 146111614
(3R,5R)-5-(aminomethyl)-1-[6-[(1-fluoronaphthalen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 146111637
[(3R)-1-[6-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 100909966
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 146113339
[(2S,4S)-4-fluoro-1-[6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 128979662
(3R,5R)-1-[6-(8-amino-3,4-dihydro-1H-2,7-naphthyridin-2-yl)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 146113316
(3S,5S)-1-(6-benzylsulfanylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 125422198
[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622803
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(hydroxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166304858
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166286023
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 146111644) is (3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol is NC[C@H]1C[C@@H](O)CN1c1cc(N2CC=CCC3(CC3)C2)ncn1.
What is the InChIKey of (3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is MJIGBNNPLVWGPZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H25N5O/c18-9-13-7-14(23)10-22(13)16-8-15(19-12-20-16)21-6-2-1-3-17(11-21)4-5-17/h1-2,8,12-14,23H,3-7,9-11,18H2/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
(3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 315.42 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(aminomethyl)-1-[6-(5-azaspiro[2.6]non-7-en-5-yl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 146111644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).