4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine

C16H22F2N4O2 — CID 123251818

IUPAC4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCc1ccc(C(F)(F)CC)o1
InChIInChI=1S/C16H22F2N4O2/c1-3-5-8-20-14-12(9-21-15(19)22-14)23-10-11-6-7-13(24-11)16(17,18)4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H3,19,20,21,22)
InChIKeyYUGCLGAJQYPBPD-UHFFFAOYSA-N
MW340.37 g/mol
LogP3.94
Rot. Bonds9

About 4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine

4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine (PubChem CID 123251818) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine
PubChem CID123251818
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCc1ccc(C(F)(F)CC)o1
InChIInChI=1S/C16H22F2N4O2/c1-3-5-8-20-14-12(9-21-15(19)22-14)23-10-11-6-7-13(24-11)16(17,18)4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H3,19,20,21,22)
InChIKeyYUGCLGAJQYPBPD-UHFFFAOYSA-N
XLogP3.94
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine
CID 71155558
4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
CID 70856461
4-N-butyl-5-[(5,6-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrimidine-2,4-diamine
CID 134568892
4-N-butyl-5-[(2-methyl-2,3-dihydropyridin-6-yl)methoxy]pyrimidine-2,4-diamine
CID 134569361
CID 89037212
CID 89037212
ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate
CID 70856475
4-N-butyl-5-[3-(3-ethoxy-4-methylphenyl)propoxy]pyrimidine-2,4-diamine
CID 134569380
4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
4-N-butyl-5-(5-cyclohexa-2,4-dien-1-ylpentoxy)pyrimidine-2,4-diamine
CID 134569048
4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 134568943
5-N-but-3-enyl-4-N-butylpyrimidine-2,4,5-triamine
CID 135252889
4-N-butyl-5-[(4-ethylphenyl)methylsulfanyl]pyrimidine-2,4-diamine
CID 134569001

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine (CID 123251818) is 4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1OCc1ccc(C(F)(F)CC)o1.
What is the InChIKey of 4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine?
The InChIKey is YUGCLGAJQYPBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-3-5-8-20-14-12(9-21-15(19)22-14)23-10-11-6-7-13(24-11)16(17,18)4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H3,19,20,21,22).
What are the key properties of 4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine?
4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine has a molecular weight of 340.37 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 123251818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).