2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

C9H13FN4 — CID 130593670

IUPAC2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCN(c1ncc(F)c(N)n1)C1CC1
InChIInChI=1S/C9H13FN4/c1-2-14(6-3-4-6)9-12-5-7(10)8(11)13-9/h5-6H,2-4H2,1H3,(H2,11,12,13)
InChIKeyLIOSGGFCVMGIRI-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.19
Rot. Bonds3

About 2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 130593670) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
PubChem CID130593670
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
SMILESCCN(c1ncc(F)c(N)n1)C1CC1
InChIInChI=1S/C9H13FN4/c1-2-14(6-3-4-6)9-12-5-7(10)8(11)13-9/h5-6H,2-4H2,1H3,(H2,11,12,13)
InChIKeyLIOSGGFCVMGIRI-UHFFFAOYSA-N
XLogP1.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-ethyl-5-methylpyrimidin-2-amine
CID 131110420
2-N-cyclohexyl-2-N-ethylpyrimidine-2,5-diamine
CID 61147065
[2-[cyclopropyl(ethyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83183763
N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80907560
2-N-cyclopropyl-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80773987
2-N-cyclopropyl-2-N-propylpyrimidine-2,5-diamine
CID 61147883
5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 130593710
5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740
2-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 116796417
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine
CID 114789417
4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 115975439
N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 113388029

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine (CID 130593670) is 2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is CCN(c1ncc(F)c(N)n1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is LIOSGGFCVMGIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c1-2-14(6-3-4-6)9-12-5-7(10)8(11)13-9/h5-6H,2-4H2,1H3,(H2,11,12,13).
What are the key properties of 2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine?
2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 196.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-ethyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 130593670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).