N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

C18H19ClFN5O — CID 71713952

IUPACN-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
SMILESCN1CC[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C1N
InChIInChI=1S/C18H19ClFN5O/c1-18(7-8-25(2)17(21)24-18)13-9-12(4-5-14(13)20)23-16(26)15-6-3-11(19)10-22-15/h3-6,9-10H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1
InChIKeyQQYCZBPVVWBIFS-SFHVURJKSA-N
MW375.84 g/mol
LogP2.99
Rot. Bonds3

About N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide (PubChem CID 71713952) has the molecular formula C18H19ClFN5O and a molecular weight of 375.84 g/mol. Its IUPAC name is N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
PubChem CID71713952
Molecular FormulaC18H19ClFN5O
Molecular Weight375.84 g/mol
Exact Mass375.13
IUPAC NameN-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
SMILESCN1CC[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C1N
InChIInChI=1S/C18H19ClFN5O/c1-18(7-8-25(2)17(21)24-18)13-9-12(4-5-14(13)20)23-16(26)15-6-3-11(19)10-22-15/h3-6,9-10H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1
InChIKeyQQYCZBPVVWBIFS-SFHVURJKSA-N
XLogP2.99
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide (CID 71713952) is N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide is CN1CC[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C1N.
What is the InChIKey of N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is QQYCZBPVVWBIFS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19ClFN5O/c1-18(7-8-25(2)17(21)24-18)13-9-12(4-5-14(13)20)23-16(26)15-6-3-11(19)10-22-15/h3-6,9-10H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1.
What are the key properties of N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6S)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 71713952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).