5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine

C14H25FN4O2 — CID 80786999

IUPAC5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(CCOC)C(C)COC)n1
InChIInChI=1S/C14H25FN4O2/c1-5-6-16-14-17-9-12(15)13(18-14)19(7-8-20-3)11(2)10-21-4/h9,11H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyHBNOTBHGNUDIFI-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.93
Rot. Bonds10

About 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80786999) has the molecular formula C14H25FN4O2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80786999
Molecular FormulaC14H25FN4O2
Molecular Weight300.38 g/mol
Exact Mass300.20
IUPAC Name5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(CCOC)C(C)COC)n1
InChIInChI=1S/C14H25FN4O2/c1-5-6-16-14-17-9-12(15)13(18-14)19(7-8-20-3)11(2)10-21-4/h9,11H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyHBNOTBHGNUDIFI-UHFFFAOYSA-N
XLogP1.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815
4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80814766
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80810049
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
5-fluoro-4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841997
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80837212
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]butanenitrile
CID 80828951

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine (CID 80786999) is 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(CCOC)C(C)COC)n1.
What is the InChIKey of 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is HBNOTBHGNUDIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN4O2/c1-5-6-16-14-17-9-12(15)13(18-14)19(7-8-20-3)11(2)10-21-4/h9,11H,5-8,10H2,1-4H3,(H,16,17,18).
What are the key properties of 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 300.38 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80786999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).