(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C14H17N5O — CID 95123079

IUPAC(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccnc(NCc3ccncc3)n2)C1
InChIInChI=1S/C14H17N5O/c20-12-4-8-19(10-12)13-3-7-16-14(18-13)17-9-11-1-5-15-6-2-11/h1-3,5-7,12,20H,4,8-10H2,(H,16,17,18)/t12-/m1/s1
InChIKeyMXCKEGJHQWVYQD-GFCCVEGCSA-N
MW271.32 g/mol
LogP1.05
Rot. Bonds4

About (3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol

(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 95123079) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID95123079
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccnc(NCc3ccncc3)n2)C1
InChIInChI=1S/C14H17N5O/c20-12-4-8-19(10-12)13-3-7-16-14(18-13)17-9-11-1-5-15-6-2-11/h1-3,5-7,12,20H,4,8-10H2,(H,16,17,18)/t12-/m1/s1
InChIKeyMXCKEGJHQWVYQD-GFCCVEGCSA-N
XLogP1.05
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide
CID 95123015
N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide
CID 50955413
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 134710523
1-[2-(2,1,3-benzothiadiazol-5-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134698382
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50985155
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50975698
1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134700926
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 95123079) is (3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol is O[C@@H]1CCN(c2ccnc(NCc3ccncc3)n2)C1.
What is the InChIKey of (3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is MXCKEGJHQWVYQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N5O/c20-12-4-8-19(10-12)13-3-7-16-14(18-13)17-9-11-1-5-15-6-2-11/h1-3,5-7,12,20H,4,8-10H2,(H,16,17,18)/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 271.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 95123079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).