4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide

C17H25FN6OS — CID 46231852

IUPAC4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide
SMILESCC(C)N(C(=O)N1CCN(c2nc(N)nc3sc(F)cc23)CC1)C(C)C
InChIInChI=1S/C17H25FN6OS/c1-10(2)24(11(3)4)17(25)23-7-5-22(6-8-23)14-12-9-13(18)26-15(12)21-16(19)20-14/h9-11H,5-8H2,1-4H3,(H2,19,20,21)
InChIKeyPIPFLQOMOORPOZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.77
Rot. Bonds3

About 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide

4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide (PubChem CID 46231852) has the molecular formula C17H25FN6OS and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide
PubChem CID46231852
Molecular FormulaC17H25FN6OS
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide
SMILESCC(C)N(C(=O)N1CCN(c2nc(N)nc3sc(F)cc23)CC1)C(C)C
InChIInChI=1S/C17H25FN6OS/c1-10(2)24(11(3)4)17(25)23-7-5-22(6-8-23)14-12-9-13(18)26-15(12)21-16(19)20-14/h9-11H,5-8H2,1-4H3,(H2,19,20,21)
InChIKeyPIPFLQOMOORPOZ-UHFFFAOYSA-N
XLogP2.77
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide (CID 46231852) is 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide is CC(C)N(C(=O)N1CCN(c2nc(N)nc3sc(F)cc23)CC1)C(C)C.
What is the InChIKey of 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide?
The InChIKey is PIPFLQOMOORPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6OS/c1-10(2)24(11(3)4)17(25)23-7-5-22(6-8-23)14-12-9-13(18)26-15(12)21-16(19)20-14/h9-11H,5-8H2,1-4H3,(H2,19,20,21).
What are the key properties of 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide?
4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)-N,N-di(propan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 46231852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).