4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine

C14H22FN5 — CID 80799247

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C14H22FN5/c1-2-16-14-17-9-12(15)13(18-14)20-7-5-19(6-8-20)10-11-3-4-11/h9,11H,2-8,10H2,1H3,(H,16,17,18)
InChIKeySZPSJEHLQUFOPW-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.58
Rot. Bonds5

About 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine

4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80799247) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80799247
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C14H22FN5/c1-2-16-14-17-9-12(15)13(18-14)20-7-5-19(6-8-20)10-11-3-4-11/h9,11H,2-8,10H2,1H3,(H,16,17,18)
InChIKeySZPSJEHLQUFOPW-UHFFFAOYSA-N
XLogP1.58
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
CID 80754583
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
CID 80780024
4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80806454
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80798443
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80804390
2-N-ethyl-5-fluoro-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812414
N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
CID 80837924
[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917723
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754662

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine (CID 80799247) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(N2CCN(CC3CC3)CC2)n1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is SZPSJEHLQUFOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5/c1-2-16-14-17-9-12(15)13(18-14)20-7-5-19(6-8-20)10-11-3-4-11/h9,11H,2-8,10H2,1H3,(H,16,17,18).
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 279.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80799247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).