5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine

C10H13FN6 — CID 80815821

IUPAC5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCn1ccnc1CCNc1nc(N)ncc1F
InChIInChI=1S/C10H13FN6/c1-17-5-4-13-8(17)2-3-14-9-7(11)6-15-10(12)16-9/h4-6H,2-3H2,1H3,(H3,12,14,15,16)
InChIKeyOECKUEGFZJOAKX-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.59
Rot. Bonds4

About 5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine

5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80815821) has the molecular formula C10H13FN6 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80815821
Molecular FormulaC10H13FN6
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCn1ccnc1CCNc1nc(N)ncc1F
InChIInChI=1S/C10H13FN6/c1-17-5-4-13-8(17)2-3-14-9-7(11)6-15-10(12)16-9/h4-6H,2-3H2,1H3,(H3,12,14,15,16)
InChIKeyOECKUEGFZJOAKX-UHFFFAOYSA-N
XLogP0.59
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
1-Ethyl-3-[6-[4-(trifluoromethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 134135736
1-Ethyl-3-[6-(4-iodoimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134143521
4-Imidazol-1-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10824197
5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
CID 46176417
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 118725542
4-Imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130230
1-Ethyl-3-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134138382
1-Ethyl-3-(6-imidazol-1-ylpyrimidin-4-yl)thiourea
CID 134150613
1-Ethyl-3-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)thiourea
CID 134151972

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 80815821) is 5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine is Cn1ccnc1CCNc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is OECKUEGFZJOAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6/c1-17-5-4-13-8(17)2-3-14-9-7(11)6-15-10(12)16-9/h4-6H,2-3H2,1H3,(H3,12,14,15,16).
What are the key properties of 5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 236.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80815821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).