N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

C19H26FN7O — CID 171996190

IUPACN-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCC(C)c1ncnc(N2CCC(Nc3nccc(N4CCOCC4)n3)C2)c1F
InChIInChI=1S/C19H26FN7O/c1-13(2)17-16(20)18(23-12-22-17)27-6-4-14(11-27)24-19-21-5-3-15(25-19)26-7-9-28-10-8-26/h3,5,12-14H,4,6-11H2,1-2H3,(H,21,24,25)
InChIKeyDOVNZVVMZPMQDI-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.06
Rot. Bonds5

About N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 171996190) has the molecular formula C19H26FN7O and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID171996190
Molecular FormulaC19H26FN7O
Molecular Weight387.46 g/mol
Exact Mass387.22
IUPAC NameN-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCC(C)c1ncnc(N2CCC(Nc3nccc(N4CCOCC4)n3)C2)c1F
InChIInChI=1S/C19H26FN7O/c1-13(2)17-16(20)18(23-12-22-17)27-6-4-14(11-27)24-19-21-5-3-15(25-19)26-7-9-28-10-8-26/h3,5,12-14H,4,6-11H2,1-2H3,(H,21,24,25)
InChIKeyDOVNZVVMZPMQDI-UHFFFAOYSA-N
XLogP2.06
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-cyclopropyl-N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902294
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996646
4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994408
N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171994648
N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
CID 172891189
2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 171995732
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995172
4-morpholin-4-yl-N-[(3R)-1-quinolin-5-ylpiperidin-3-yl]pyrimidin-2-amine
CID 171540071
4-morpholin-4-yl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994884
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996210

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (CID 171996190) is N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is CC(C)c1ncnc(N2CCC(Nc3nccc(N4CCOCC4)n3)C2)c1F.
What is the InChIKey of N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is DOVNZVVMZPMQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN7O/c1-13(2)17-16(20)18(23-12-22-17)27-6-4-14(11-27)24-19-21-5-3-15(25-19)26-7-9-28-10-8-26/h3,5,12-14H,4,6-11H2,1-2H3,(H,21,24,25).
What are the key properties of N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 387.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 171996190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).