N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine

C14H22FN5O — CID 80812636

IUPACN-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C14H22FN5O/c1-2-16-14-17-9-12(15)13(18-14)20-4-3-11(10-20)19-5-7-21-8-6-19/h9,11H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyYFYYEQNJXDPGHS-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.96
Rot. Bonds4

About N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine (PubChem CID 80812636) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine
PubChem CID80812636
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC NameN-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C14H22FN5O/c1-2-16-14-17-9-12(15)13(18-14)20-4-3-11(10-20)19-5-7-21-8-6-19/h9,11H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyYFYYEQNJXDPGHS-UHFFFAOYSA-N
XLogP0.96
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine (CID 80812636) is N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine is CCNc1ncc(F)c(N2CCC(N3CCOCC3)C2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The InChIKey is YFYYEQNJXDPGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O/c1-2-16-14-17-9-12(15)13(18-14)20-4-3-11(10-20)19-5-7-21-8-6-19/h9,11H,2-8,10H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine has a molecular weight of 295.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80812636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).