(3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde

C11H15ClN4O2 — CID 175112617

IUPAC(3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde
SMILESCCOc1nc(N[C@@H]2CCN(C=O)C2)ncc1Cl
InChIInChI=1S/C11H15ClN4O2/c1-2-18-10-9(12)5-13-11(15-10)14-8-3-4-16(6-8)7-17/h5,7-8H,2-4,6H2,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyPEDHUAIPDOMXPV-MRVPVSSYSA-N
MW270.72 g/mol
LogP1.17
Rot. Bonds5

About (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde

(3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde (PubChem CID 175112617) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde
PubChem CID175112617
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name(3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde
SMILESCCOc1nc(N[C@@H]2CCN(C=O)C2)ncc1Cl
InChIInChI=1S/C11H15ClN4O2/c1-2-18-10-9(12)5-13-11(15-10)14-8-3-4-16(6-8)7-17/h5,7-8H,2-4,6H2,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyPEDHUAIPDOMXPV-MRVPVSSYSA-N
XLogP1.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde 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

5-chloro-4-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 166240638
3-[(5-chloropyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde
CID 175109360
N-[4-[3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 153314257
(3R)-3-[(5-chloro-4-cyclopropyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 175353031
[(3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]-[3-[2-(dimethylamino)ethoxy]-4-nitrophenyl]methanone
CID 151043893
(5-amino-2-pyridinyl)-[(3R)-3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 147235702
(E)-N-[6-[3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]-3-pyridinyl]-4-(3-fluoropyrrolidin-1-yl)but-2-enamide
CID 175112365
N-[5-[(3R)-3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]-2-pyridinyl]-4-[(3R)-3-fluoropyrrolidin-1-yl]but-2-enamide
CID 156755904
N-[2-[[5-chloro-2-[(1-formylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 90331002
(E)-N-[6-[(3R)-3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]-3-pyridinyl]but-2-enamide
CID 147169460
2-[4-[[5-chloro-4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-3-methoxyphenyl]morpholine-4-carbaldehyde
CID 135359213
2-[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-2,5-dimethoxyphenyl]morpholine-4-carbaldehyde
CID 130384840

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde?
The IUPAC name of (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde (CID 175112617) is (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde?
The canonical SMILES for (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde is CCOc1nc(N[C@@H]2CCN(C=O)C2)ncc1Cl.
What is the InChIKey of (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde?
The InChIKey is PEDHUAIPDOMXPV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-2-18-10-9(12)5-13-11(15-10)14-8-3-4-16(6-8)7-17/h5,7-8H,2-4,6H2,1H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde?
(3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde has a molecular weight of 270.72 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-chloro-4-ethoxypyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 175112617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).