4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine

C8H14FN5 — CID 59777243

IUPAC4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N(C)CCN)c1F
InChIInChI=1S/C8H14FN5/c1-5-6(9)7(13-8(11)12-5)14(2)4-3-10/h3-4,10H2,1-2H3,(H2,11,12,13)
InChIKeyPPTBQXCRYLWVFG-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.10
Rot. Bonds3

About 4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine

4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 59777243) has the molecular formula C8H14FN5 and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID59777243
Molecular FormulaC8H14FN5
Molecular Weight199.23 g/mol
Exact Mass199.12
IUPAC Name4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N(C)CCN)c1F
InChIInChI=1S/C8H14FN5/c1-5-6(9)7(13-8(11)12-5)14(2)4-3-10/h3-4,10H2,1-2H3,(H2,11,12,13)
InChIKeyPPTBQXCRYLWVFG-UHFFFAOYSA-N
XLogP-0.10
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994950
4-(fluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720435
4-(3-Aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
CID 155533291
4-[3-(Ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
CID 155533940
5-Iodo-6-methyl-n4-pentylpyrimidine-2,4-diamine
CID 68417258
5-bromo-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 130708144
4-N-butyl-5-iodo-6-methylpyrimidine-2,4-diamine
CID 134106001
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
4-N-butyl-6-methyl-5-pent-1-ynylpyrimidine-2,4-diamine
CID 135271020
2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine
CID 7147190

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine (CID 59777243) is 4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine is Cc1nc(N)nc(N(C)CCN)c1F.
What is the InChIKey of 4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is PPTBQXCRYLWVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5/c1-5-6(9)7(13-8(11)12-5)14(2)4-3-10/h3-4,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 199.23 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 59777243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).