N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide

C16H21N7O2S — CID 91961605

IUPACN,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncnc3c2NC(=O)C(C(C)C)N3)sc1C(=O)N(C)C
InChIInChI=1S/C16H21N7O2S/c1-7(2)9-14(24)21-10-12(20-9)17-6-18-13(10)22-16-19-8(3)11(26-16)15(25)23(4)5/h6-7,9H,1-5H3,(H,21,24)(H2,17,18,19,20,22)
InChIKeyLJODYRIGAWQDIE-UHFFFAOYSA-N
MW375.46 g/mol
LogP2.08
Rot. Bonds4

About N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 91961605) has the molecular formula C16H21N7O2S and a molecular weight of 375.46 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide
PubChem CID91961605
Molecular FormulaC16H21N7O2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC NameN,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncnc3c2NC(=O)C(C(C)C)N3)sc1C(=O)N(C)C
InChIInChI=1S/C16H21N7O2S/c1-7(2)9-14(24)21-10-12(20-9)17-6-18-13(10)22-16-19-8(3)11(26-16)15(25)23(4)5/h6-7,9H,1-5H3,(H,21,24)(H2,17,18,19,20,22)
InChIKeyLJODYRIGAWQDIE-UHFFFAOYSA-N
XLogP2.08
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide (CID 91961605) is N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncnc3c2NC(=O)C(C(C)C)N3)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is LJODYRIGAWQDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2S/c1-7(2)9-14(24)21-10-12(20-9)17-6-18-13(10)22-16-19-8(3)11(26-16)15(25)23(4)5/h6-7,9H,1-5H3,(H,21,24)(H2,17,18,19,20,22).
What are the key properties of N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(6-oxo-7-propan-2-yl-7,8-dihydro-5H-pteridin-4-yl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91961605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).