2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine

C13H22FN5 — CID 80777288

IUPAC2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCC2CCCN2CC)n1
InChIInChI=1S/C13H22FN5/c1-3-15-13-17-9-11(14)12(18-13)16-8-10-6-5-7-19(10)4-2/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyRTIQWTFIBYPZCS-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.94
Rot. Bonds6

About 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine

2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine (PubChem CID 80777288) has the molecular formula C13H22FN5 and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
PubChem CID80777288
Molecular FormulaC13H22FN5
Molecular Weight267.35 g/mol
Exact Mass267.19
IUPAC Name2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCC2CCCN2CC)n1
InChIInChI=1S/C13H22FN5/c1-3-15-13-17-9-11(14)12(18-13)16-8-10-6-5-7-19(10)4-2/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyRTIQWTFIBYPZCS-UHFFFAOYSA-N
XLogP1.94
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-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

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80944062
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
2-N-ethyl-5-fluoro-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812414
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81046836
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137925
N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870420
5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837054
5-chloro-4-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 71611355
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine
CID 170925579

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine (CID 80777288) is 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(NCC2CCCN2CC)n1.
What is the InChIKey of 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine?
The InChIKey is RTIQWTFIBYPZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN5/c1-3-15-13-17-9-11(14)12(18-13)16-8-10-6-5-7-19(10)4-2/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine?
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine has a molecular weight of 267.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80777288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).