2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide

C21H23FN6O3 — CID 66810292

IUPAC2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(-c2ccc3nc(N)nc(OC4CCOC4)c3n2)cc1F
InChIInChI=1S/C21H23FN6O3/c1-21(2,24)19(29)26-15-4-3-11(9-13(15)22)14-5-6-16-17(25-14)18(28-20(23)27-16)31-12-7-8-30-10-12/h3-6,9,12H,7-8,10,24H2,1-2H3,(H,26,29)(H2,23,27,28)
InChIKeyYSSHOODLPSMYAK-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.26
Rot. Bonds5

About 2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide

2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide (PubChem CID 66810292) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is 2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide
PubChem CID66810292
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(-c2ccc3nc(N)nc(OC4CCOC4)c3n2)cc1F
InChIInChI=1S/C21H23FN6O3/c1-21(2,24)19(29)26-15-4-3-11(9-13(15)22)14-5-6-16-17(25-14)18(28-20(23)27-16)31-12-7-8-30-10-12/h3-6,9,12H,7-8,10,24H2,1-2H3,(H,26,29)(H2,23,27,28)
InChIKeyYSSHOODLPSMYAK-UHFFFAOYSA-N
XLogP2.26
TPSA138.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 24961448
6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-2-amine
CID 24960749
4-cyclohexyloxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 24958393
4-(2-amino-4-ethoxypyrido[3,2-d]pyrimidin-6-yl)-2-fluorobenzamide
CID 69033636
4-[(3S)-oxolan-3-yl]oxy-6-[4-[1-(2,2,2-trifluoroethylamino)ethenyl]phenyl]-1,5-naphthyridin-2-amine
CID 143706522
6-chloro-4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-2-amine
CID 24958394
4-[2-amino-4-(oxolan-3-yloxy)quinazolin-6-yl]-N-(1-cyanocyclopropyl)benzamide
CID 68601077
4-(oxolan-3-yloxy)quinazolin-2-amine
CID 80876588
1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
CID 63559449
N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63557017
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124727775
6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 59199210

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide (CID 66810292) is 2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide is CC(C)(N)C(=O)Nc1ccc(-c2ccc3nc(N)nc(OC4CCOC4)c3n2)cc1F.
What is the InChIKey of 2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide?
The InChIKey is YSSHOODLPSMYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-21(2,24)19(29)26-15-4-3-11(9-13(15)22)14-5-6-16-17(25-14)18(28-20(23)27-16)31-12-7-8-30-10-12/h3-6,9,12H,7-8,10,24H2,1-2H3,(H,26,29)(H2,23,27,28).
What are the key properties of 2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide?
2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide has a molecular weight of 426.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-amino-4-(oxolan-3-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methylpropanamide is sourced from PubChem (CID 66810292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).