N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide

C19H25FN6O2 — CID 123331566

IUPACN-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide
SMILES[H]/N=C(\c1ccc(NC(=O)C(C)C)c(F)c1)C1C(N2CCOCC2)=NC=NC1N
InChIInChI=1S/C19H25FN6O2/c1-11(2)19(27)25-14-4-3-12(9-13(14)20)16(21)15-17(22)23-10-24-18(15)26-5-7-28-8-6-26/h3-4,9-11,15,17,21H,5-8,22H2,1-2H3,(H,25,27)/b21-16+
InChIKeyDFBXAPHMFBEKAK-LTGZKZEYSA-N
MW388.45 g/mol
LogP1.46
Rot. Bonds4

About N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide

N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide (PubChem CID 123331566) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide
PubChem CID123331566
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC NameN-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide
SMILES[H]/N=C(\c1ccc(NC(=O)C(C)C)c(F)c1)C1C(N2CCOCC2)=NC=NC1N
InChIInChI=1S/C19H25FN6O2/c1-11(2)19(27)25-14-4-3-12(9-13(14)20)16(21)15-17(22)23-10-24-18(15)26-5-7-28-8-6-26/h3-4,9-11,15,17,21H,5-8,22H2,1-2H3,(H,25,27)/b21-16+
InChIKeyDFBXAPHMFBEKAK-LTGZKZEYSA-N
XLogP1.46
TPSA116.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide (CID 123331566) is N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide is [H]/N=C(\c1ccc(NC(=O)C(C)C)c(F)c1)C1C(N2CCOCC2)=NC=NC1N.
What is the InChIKey of N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide?
The InChIKey is DFBXAPHMFBEKAK-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c1-11(2)19(27)25-14-4-3-12(9-13(14)20)16(21)15-17(22)23-10-24-18(15)26-5-7-28-8-6-26/h3-4,9-11,15,17,21H,5-8,22H2,1-2H3,(H,25,27)/b21-16+.
What are the key properties of N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide?
N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide has a molecular weight of 388.45 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-6-morpholin-4-yl-4,5-dihydropyrimidine-5-carboximidoyl)-2-fluorophenyl]-2-methylpropanamide is sourced from PubChem (CID 123331566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).