6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide

C19H17FN6O3 — CID 71282814

IUPAC6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)nc2)n1)C(N)=O
InChIInChI=1S/C19H17FN6O3/c1-10(17(21)27)24-15-8-14(18(22)28)25-19(26-15)11-2-7-16(23-9-11)29-13-5-3-12(20)4-6-13/h2-10H,1H3,(H2,21,27)(H2,22,28)(H,24,25,26)/t10-/m0/s1
InChIKeyUPDIJJLWWYEELS-JTQLQIEISA-N
MW396.38 g/mol
LogP1.85
Rot. Bonds7

About 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide

6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 71282814) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID71282814
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC Name6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)nc2)n1)C(N)=O
InChIInChI=1S/C19H17FN6O3/c1-10(17(21)27)24-15-8-14(18(22)28)25-19(26-15)11-2-7-16(23-9-11)29-13-5-3-12(20)4-6-13/h2-10H,1H3,(H2,21,27)(H2,22,28)(H,24,25,26)/t10-/m0/s1
InChIKeyUPDIJJLWWYEELS-JTQLQIEISA-N
XLogP1.85
TPSA146.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide (CID 71282814) is 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide is C[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)nc2)n1)C(N)=O.
What is the InChIKey of 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is UPDIJJLWWYEELS-JTQLQIEISA-N. The full InChI is InChI=1S/C19H17FN6O3/c1-10(17(21)27)24-15-8-14(18(22)28)25-19(26-15)11-2-7-16(23-9-11)29-13-5-3-12(20)4-6-13/h2-10H,1H3,(H2,21,27)(H2,22,28)(H,24,25,26)/t10-/m0/s1.
What are the key properties of 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 396.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71282814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).