4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine

C21H31N5O2 — CID 134569274

IUPAC4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1CCc1cc(OC2CCCC2)c(OC)cn1
InChIInChI=1S/C21H31N5O2/c1-3-4-11-23-20-15(13-25-21(22)26-20)9-10-16-12-18(19(27-2)14-24-16)28-17-7-5-6-8-17/h12-14,17H,3-11H2,1-2H3,(H3,22,23,25,26)
InChIKeySYGFDRSJJXFSQP-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.78
Rot. Bonds10

About 4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine

4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 134569274) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine
PubChem CID134569274
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1CCc1cc(OC2CCCC2)c(OC)cn1
InChIInChI=1S/C21H31N5O2/c1-3-4-11-23-20-15(13-25-21(22)26-20)9-10-16-12-18(19(27-2)14-24-16)28-17-7-5-6-8-17/h12-14,17H,3-11H2,1-2H3,(H3,22,23,25,26)
InChIKeySYGFDRSJJXFSQP-UHFFFAOYSA-N
XLogP3.78
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 134568943
2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethylcarbamic acid
CID 18763381
4-N-butyl-5-[2-(diazet-3-yl)ethyl]pyrimidine-2,4-diamine
CID 134569298
4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
CID 70856461
4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine
CID 134569287
4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine
CID 71155558
CID 89037212
CID 89037212
5-[2-[6-[1-(methylamino)ethenyl]-2-pyridinyl]ethyl]-4-N-pentylpyrimidine-2,4-diamine
CID 134569005
4-N-butyl-5-(5-cyclohexa-2,4-dien-1-ylpentoxy)pyrimidine-2,4-diamine
CID 134569048
4-N-butyl-5-[3-(3-ethoxy-4-methylphenyl)propoxy]pyrimidine-2,4-diamine
CID 134569380
5-(cyclohexylmethyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 66904707

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine (CID 134569274) is 4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1CCc1cc(OC2CCCC2)c(OC)cn1.
What is the InChIKey of 4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is SYGFDRSJJXFSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-3-4-11-23-20-15(13-25-21(22)26-20)9-10-16-12-18(19(27-2)14-24-16)28-17-7-5-6-8-17/h12-14,17H,3-11H2,1-2H3,(H3,22,23,25,26).
What are the key properties of 4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine?
4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 385.51 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-[2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 134569274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).