(2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide

C19H24N4O3 — CID 138550781

IUPAC(2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1cnc(Oc2cccc3c2C(C)(C)OC3)nc1
InChIInChI=1S/C19H24N4O3/c1-11(2)16(20)17(24)23-13-8-21-18(22-9-13)26-14-7-5-6-12-10-25-19(3,4)15(12)14/h5-9,11,16H,10,20H2,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyYDVFWZKGTVBPEX-MRXNPFEDSA-N
MW356.43 g/mol
LogP2.96
Rot. Bonds5

About (2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide

(2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide (PubChem CID 138550781) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide
PubChem CID138550781
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1cnc(Oc2cccc3c2C(C)(C)OC3)nc1
InChIInChI=1S/C19H24N4O3/c1-11(2)16(20)17(24)23-13-8-21-18(22-9-13)26-14-7-5-6-12-10-25-19(3,4)15(12)14/h5-9,11,16H,10,20H2,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyYDVFWZKGTVBPEX-MRXNPFEDSA-N
XLogP2.96
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
CID 119317714
2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 43540260
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide
CID 71090057
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 61180630
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide
CID 79013276
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide (CID 138550781) is (2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide is CC(C)[C@@H](N)C(=O)Nc1cnc(Oc2cccc3c2C(C)(C)OC3)nc1.
What is the InChIKey of (2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide?
The InChIKey is YDVFWZKGTVBPEX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11(2)16(20)17(24)23-13-8-21-18(22-9-13)26-14-7-5-6-12-10-25-19(3,4)15(12)14/h5-9,11,16H,10,20H2,1-4H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide?
(2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide has a molecular weight of 356.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[(3,3-dimethyl-1H-2-benzofuran-4-yl)oxy]pyrimidin-5-yl]-3-methylbutanamide is sourced from PubChem (CID 138550781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).