5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

C15H21FN6S — CID 72900718

IUPAC5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCc1nc(CN2CCN(c3ncc(F)c(N(C)C)n3)CC2)cs1
InChIInChI=1S/C15H21FN6S/c1-11-18-12(10-23-11)9-21-4-6-22(7-5-21)15-17-8-13(16)14(19-15)20(2)3/h8,10H,4-7,9H2,1-3H3
InChIKeyQUFRSXKLWBAGHM-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.77
Rot. Bonds4

About 5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine

5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 72900718) has the molecular formula C15H21FN6S and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID72900718
Molecular FormulaC15H21FN6S
Molecular Weight336.44 g/mol
Exact Mass336.15
IUPAC Name5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCc1nc(CN2CCN(c3ncc(F)c(N(C)C)n3)CC2)cs1
InChIInChI=1S/C15H21FN6S/c1-11-18-12(10-23-11)9-21-4-6-22(7-5-21)15-17-8-13(16)14(19-15)20(2)3/h8,10H,4-7,9H2,1-3H3
InChIKeyQUFRSXKLWBAGHM-UHFFFAOYSA-N
XLogP1.77
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine (CID 72900718) is 5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine is Cc1nc(CN2CCN(c3ncc(F)c(N(C)C)n3)CC2)cs1.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is QUFRSXKLWBAGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6S/c1-11-18-12(10-23-11)9-21-4-6-22(7-5-21)15-17-8-13(16)14(19-15)20(2)3/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine?
5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72900718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).