4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine

C8H12ClN3O — CID 154776272

IUPAC4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCOCCCNc1nccc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-13-6-2-4-10-8-11-5-3-7(9)12-8/h3,5H,2,4,6H2,1H3,(H,10,11,12)
InChIKeyIHAURWXGVQXWGG-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.58
Rot. Bonds5

About 4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine

4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine (PubChem CID 154776272) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine
PubChem CID154776272
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCOCCCNc1nccc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-13-6-2-4-10-8-11-5-3-7(9)12-8/h3,5H,2,4,6H2,1H3,(H,10,11,12)
InChIKeyIHAURWXGVQXWGG-UHFFFAOYSA-N
XLogP1.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886247
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882663
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886323
4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886293
2-N-(2-chloroethyl)-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 67709782
4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886297

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine (CID 154776272) is 4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine is COCCCNc1nccc(Cl)n1.
What is the InChIKey of 4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine?
The InChIKey is IHAURWXGVQXWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-13-6-2-4-10-8-11-5-3-7(9)12-8/h3,5H,2,4,6H2,1H3,(H,10,11,12).
What are the key properties of 4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine?
4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine has a molecular weight of 201.66 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 154776272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).