methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate

C10H14FN3O3 — CID 123827624

IUPACmethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate
SMILESCOC(=O)NC1=NC(O)N(CC2CC2)C=C1F
InChIInChI=1S/C10H14FN3O3/c1-17-10(16)13-8-7(11)5-14(9(15)12-8)4-6-2-3-6/h5-6,9,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyPQBYICRXSBZRDD-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.55
Rot. Bonds2

About methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate

methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate (PubChem CID 123827624) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate
PubChem CID123827624
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Namemethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate
SMILESCOC(=O)NC1=NC(O)N(CC2CC2)C=C1F
InChIInChI=1S/C10H14FN3O3/c1-17-10(16)13-8-7(11)5-14(9(15)12-8)4-6-2-3-6/h5-6,9,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyPQBYICRXSBZRDD-UHFFFAOYSA-N
XLogP0.55
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 1-(cyclopropylmethyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate
CID 58166422
[1-(Cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid
CID 141290000

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate (CID 123827624) is methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate is COC(=O)NC1=NC(O)N(CC2CC2)C=C1F.
What is the InChIKey of methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate?
The InChIKey is PQBYICRXSBZRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-17-10(16)13-8-7(11)5-14(9(15)12-8)4-6-2-3-6/h5-6,9,15H,2-4H2,1H3,(H,12,13,16).
What are the key properties of methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate?
methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate has a molecular weight of 243.24 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate is sourced from PubChem (CID 123827624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).