N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine

C20H15N5OS — CID 6539977

IUPACN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine
SMILESCc1sc2ncnc(N)c2c1-c1ccc(Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C20H15N5OS/c1-11-16(17-18(21)22-10-23-19(17)27-11)12-6-8-13(9-7-12)24-20-25-14-4-2-3-5-15(14)26-20/h2-10H,1H3,(H,24,25)(H2,21,22,23)
InChIKeyLVYKWIIPVPBKJT-UHFFFAOYSA-N
MW373.44 g/mol
LogP5.13
Rot. Bonds3

About N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine

N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine (PubChem CID 6539977) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine
PubChem CID6539977
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC NameN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine
SMILESCc1sc2ncnc(N)c2c1-c1ccc(Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C20H15N5OS/c1-11-16(17-18(21)22-10-23-19(17)27-11)12-6-8-13(9-7-12)24-20-25-14-4-2-3-5-15(14)26-20/h2-10H,1H3,(H,24,25)(H2,21,22,23)
InChIKeyLVYKWIIPVPBKJT-UHFFFAOYSA-N
XLogP5.13
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

Thienopyrimidine deriv. 13
CID 6539990
Vas-2870
CID 4058452
N-(4-(2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl)phenyl)benzo[d]oxazol-2-amine
CID 46883087
rac-((2S,3R)-2-((benzo[d]oxazol-2-ylamino)methyl)-3-methylpiperidin-1-yl)(2-methyl-5-phenylthiazol-4-yl)methanone
CID 70685888
N-[2-(2-methyl-1,3-thiazol-4-yl)-1-pyridin-2-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10407312
Thieno[2,3-c]pyridine-2-carboxamide,7-amino-4-[4-(2-benzoxazolylamino)phenyl]-
CID 11560418
3-(4-(5,7-Dimethylbenzo[d]oxazol-2-ylamino)phenyl)isothiazolo[5,4-d]pyrimidin-4-amine
CID 44414759
1-[4-(1,3-Benzoxazol-2-yl)piperidin-1-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 17403432
5-((Benzo[d]oxazol-2-ylthio)methyl)pyrimidine-2,4-diamine
CID 46888289
N-[6-(2-methyl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-1,3-benzoxazol-6-amine
CID 172446742
2-[(2-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-1,3-benzoxazole
CID 1177269
Cambridge id 5785444
CID 1111993

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine (CID 6539977) is N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine is Cc1sc2ncnc(N)c2c1-c1ccc(Nc2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine?
The InChIKey is LVYKWIIPVPBKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c1-11-16(17-18(21)22-10-23-19(17)27-11)12-6-8-13(9-7-12)24-20-25-14-4-2-3-5-15(14)26-20/h2-10H,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine?
N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine has a molecular weight of 373.44 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 6539977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).