1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C20H23N5O4 — CID 46903742

IUPAC1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNCc3cccn3-c3ccncc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C20H23N5O4/c1-13-12-25(20(28)23-19(13)27)18-9-16(26)17(29-18)11-22-10-15-3-2-8-24(15)14-4-6-21-7-5-14/h2-8,12,16-18,22,26H,9-11H2,1H3,(H,23,27,28)/t16-,17+,18+/m0/s1
InChIKeyIQFRADAPNFUOEV-RCCFBDPRSA-N
MW397.44 g/mol
LogP0.47
Rot. Bonds6

About 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 46903742) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID46903742
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNCc3cccn3-c3ccncc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C20H23N5O4/c1-13-12-25(20(28)23-19(13)27)18-9-16(26)17(29-18)11-22-10-15-3-2-8-24(15)14-4-6-21-7-5-14/h2-8,12,16-18,22,26H,9-11H2,1H3,(H,23,27,28)/t16-,17+,18+/m0/s1
InChIKeyIQFRADAPNFUOEV-RCCFBDPRSA-N
XLogP0.47
TPSA114.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 46903742) is 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](O)[C@@H](CNCc3cccn3-c3ccncc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is IQFRADAPNFUOEV-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-13-12-25(20(28)23-19(13)27)18-9-16(26)17(29-18)11-22-10-15-3-2-8-24(15)14-4-6-21-7-5-14/h2-8,12,16-18,22,26H,9-11H2,1H3,(H,23,27,28)/t16-,17+,18+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 397.44 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-hydroxy-5-[[(1-pyridin-4-ylpyrrol-2-yl)methylamino]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 46903742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).