N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine

C16H20FN7O — CID 175648592

IUPACN-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESFc1cncnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C16H20FN7O/c17-13-9-18-11-20-15(13)24-4-2-12(10-24)21-14-1-3-19-16(22-14)23-5-7-25-8-6-23/h1,3,9,11-12H,2,4-8,10H2,(H,19,21,22)
InChIKeyUGTZHUGYJVBMSR-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.93
Rot. Bonds4

About N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 175648592) has the molecular formula C16H20FN7O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID175648592
Molecular FormulaC16H20FN7O
Molecular Weight345.38 g/mol
Exact Mass345.17
IUPAC NameN-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESFc1cncnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C16H20FN7O/c17-13-9-18-11-20-15(13)24-4-2-12(10-24)21-14-1-3-19-16(22-14)23-5-7-25-8-6-23/h1,3,9,11-12H,2,4-8,10H2,(H,19,21,22)
InChIKeyUGTZHUGYJVBMSR-UHFFFAOYSA-N
XLogP0.93
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900137
5-bromo-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 172902500
2-morpholin-4-yl-N-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidin-4-amine
CID 172899981
N-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901782
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901047
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900765
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609
N-(1-imidazo[1,2-a]pyrazin-8-ylpiperidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 172904241
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901044
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 175650740
N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175651069
2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902099

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 175648592) is N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is Fc1cncnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)C1.
What is the InChIKey of N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is UGTZHUGYJVBMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN7O/c17-13-9-18-11-20-15(13)24-4-2-12(10-24)21-14-1-3-19-16(22-14)23-5-7-25-8-6-23/h1,3,9,11-12H,2,4-8,10H2,(H,19,21,22).
What are the key properties of N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 345.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 175648592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).