4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine

C12H20ClN3O — CID 82460947

IUPAC4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
SMILESCCc1cc(Cl)nc(NCCCOC(C)C)n1
InChIInChI=1S/C12H20ClN3O/c1-4-10-8-11(13)16-12(15-10)14-6-5-7-17-9(2)3/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyGJVCFUZKEDJVGO-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.92
Rot. Bonds7

About 4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine

4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine (PubChem CID 82460947) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
PubChem CID82460947
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
SMILESCCc1cc(Cl)nc(NCCCOC(C)C)n1
InChIInChI=1S/C12H20ClN3O/c1-4-10-8-11(13)16-12(15-10)14-6-5-7-17-9(2)3/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyGJVCFUZKEDJVGO-UHFFFAOYSA-N
XLogP2.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.92
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

3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol
CID 82460980
4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine
CID 82460969
6-chloro-2-N-(4-propan-2-yloxybutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 106014722
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309379
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332
O-[3-[[4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-yl]amino]propyl]hydroxylamine
CID 58947095
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 133381990
3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine
CID 114137195
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine (CID 82460947) is 4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine is CCc1cc(Cl)nc(NCCCOC(C)C)n1.
What is the InChIKey of 4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The InChIKey is GJVCFUZKEDJVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-4-10-8-11(13)16-12(15-10)14-6-5-7-17-9(2)3/h8-9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine has a molecular weight of 257.76 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 82460947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).