1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol

C16H20N4O2 — CID 134710523

IUPAC1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOCc1cccc(CNc2nccc(N3CCC(O)C3)n2)c1
InChIInChI=1S/C16H20N4O2/c21-11-13-3-1-2-12(8-13)9-18-16-17-6-4-15(19-16)20-7-5-14(22)10-20/h1-4,6,8,14,21-22H,5,7,9-11H2,(H,17,18,19)
InChIKeyPFXUQACLELPWQN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.15
Rot. Bonds5

About 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 134710523) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID134710523
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOCc1cccc(CNc2nccc(N3CCC(O)C3)n2)c1
InChIInChI=1S/C16H20N4O2/c21-11-13-3-1-2-12(8-13)9-18-16-17-6-4-15(19-16)20-7-5-14(22)10-20/h1-4,6,8,14,21-22H,5,7,9-11H2,(H,17,18,19)
InChIKeyPFXUQACLELPWQN-UHFFFAOYSA-N
XLogP1.15
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
1-[2-(2,1,3-benzothiadiazol-5-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134698382
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50975698
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74239468
1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134700926
1-[2-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50985155
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
(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95525382

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 134710523) is 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol is OCc1cccc(CNc2nccc(N3CCC(O)C3)n2)c1.
What is the InChIKey of 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is PFXUQACLELPWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-11-13-3-1-2-12(8-13)9-18-16-17-6-4-15(19-16)20-7-5-14(22)10-20/h1-4,6,8,14,21-22H,5,7,9-11H2,(H,17,18,19).
What are the key properties of 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 300.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 134710523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).