5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine

C10H18FN5 — CID 80832624

IUPAC5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
SMILESCC(C)N(C)CCNc1nc(N)ncc1F
InChIInChI=1S/C10H18FN5/c1-7(2)16(3)5-4-13-9-8(11)6-14-10(12)15-9/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15)
InChIKeyFXERDPNAZWYSJN-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.95
Rot. Bonds5

About 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine

5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine (PubChem CID 80832624) has the molecular formula C10H18FN5 and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
PubChem CID80832624
Molecular FormulaC10H18FN5
Molecular Weight227.29 g/mol
Exact Mass227.15
IUPAC Name5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
SMILESCC(C)N(C)CCNc1nc(N)ncc1F
InChIInChI=1S/C10H18FN5/c1-7(2)16(3)5-4-13-9-8(11)6-14-10(12)15-9/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15)
InChIKeyFXERDPNAZWYSJN-UHFFFAOYSA-N
XLogP0.95
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
CID 80816916
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343575
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
CID 80777648
N-(2-chloro-5-fluoropyrimidin-4-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79081852
5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine
CID 80832532
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 114133535
4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
CID 115409525
2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol
CID 80827312
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159768
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine
CID 80833143

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine (CID 80832624) is 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine is CC(C)N(C)CCNc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine?
The InChIKey is FXERDPNAZWYSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5/c1-7(2)16(3)5-4-13-9-8(11)6-14-10(12)15-9/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine has a molecular weight of 227.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80832624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).