6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine

C13H22ClN3O — CID 106013674

IUPAC6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCCCCOC(C)C
InChIInChI=1S/C13H22ClN3O/c1-4-11-12(14)16-9-17-13(11)15-7-5-6-8-18-10(2)3/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyIDGKACNNBSVRPW-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.31
Rot. Bonds8

About 6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine

6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine (PubChem CID 106013674) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
PubChem CID106013674
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCCCCOC(C)C
InChIInChI=1S/C13H22ClN3O/c1-4-11-12(14)16-9-17-13(11)15-7-5-6-8-18-10(2)3/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyIDGKACNNBSVRPW-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.31
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

4-chloro-6-(4-propan-2-yloxybutylamino)pyrimidine-5-carbaldehyde
CID 114137328
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837
5-bromo-6-N-ethyl-4-N-(4-propan-2-yloxybutyl)pyrimidine-4,6-diamine
CID 106014624
2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311213
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 55229294
6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine
CID 106223062
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 114137188
6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine
CID 13075482
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 133381990

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine (CID 106013674) is 6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine is CCc1c(Cl)ncnc1NCCCCOC(C)C.
What is the InChIKey of 6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The InChIKey is IDGKACNNBSVRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-4-11-12(14)16-9-17-13(11)15-7-5-6-8-18-10(2)3/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine has a molecular weight of 271.79 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine is sourced from PubChem (CID 106013674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).