6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C19H24N4O5 — CID 124738428

IUPAC6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2C[C@H](C)Oc3cc(C)ccc32)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O5/c1-11-4-5-13-15(8-11)28-12(2)9-22(13)10-14(24)16-17(20)23(6-7-27-3)19(26)21-18(16)25/h4-5,8,12H,6-7,9-10,20H2,1-3H3,(H,21,25,26)/t12-/m0/s1
InChIKeyQYCPNQKRWFLIKO-LBPRGKRZSA-N
MW388.42 g/mol
LogP0.54
Rot. Bonds6

About 6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 124738428) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID124738428
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2C[C@H](C)Oc3cc(C)ccc32)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O5/c1-11-4-5-13-15(8-11)28-12(2)9-22(13)10-14(24)16-17(20)23(6-7-27-3)19(26)21-18(16)25/h4-5,8,12H,6-7,9-10,20H2,1-3H3,(H,21,25,26)/t12-/m0/s1
InChIKeyQYCPNQKRWFLIKO-LBPRGKRZSA-N
XLogP0.54
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 124738428) is 6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN2C[C@H](C)Oc3cc(C)ccc32)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is QYCPNQKRWFLIKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11-4-5-13-15(8-11)28-12(2)9-22(13)10-14(24)16-17(20)23(6-7-27-3)19(26)21-18(16)25/h4-5,8,12H,6-7,9-10,20H2,1-3H3,(H,21,25,26)/t12-/m0/s1.
What are the key properties of 6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 388.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 124738428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).