4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one

C10H16ClN3O2 — CID 136974563

IUPAC4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one
SMILESCCCCOCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyQBYWOXMVTNIGBN-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.65
Rot. Bonds7

About 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one

4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one (PubChem CID 136974563) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one
PubChem CID136974563
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one
SMILESCCCCOCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyQBYWOXMVTNIGBN-UHFFFAOYSA-N
XLogP1.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one 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-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896832
5-chloro-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975764
5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586296
5-chloro-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586325
5-chloro-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586335
5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676261
5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676272
5-chloro-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136678163
4-(2-but-3-enoxyethylamino)-5-chloro-1H-pyrimidin-6-one
CID 136690723
5-chloro-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713912
4-[3-(2-aminoethoxy)propylamino]-5-chloro-1H-pyrimidin-6-one
CID 136730545
5-chloro-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764969

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one (CID 136974563) is 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one is CCCCOCCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is QBYWOXMVTNIGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one?
4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethylamino)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136974563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).