5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine

C11H14FN5S — CID 80839819

IUPAC5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)Cc2scnc2C)n1
InChIInChI=1S/C11H14FN5S/c1-7-9(18-6-15-7)5-17(3)10-8(12)4-14-11(13-2)16-10/h4,6H,5H2,1-3H3,(H,13,14,16)
InChIKeyDSIPUSNLECFRFG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.06
Rot. Bonds4

About 5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine

5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80839819) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80839819
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)Cc2scnc2C)n1
InChIInChI=1S/C11H14FN5S/c1-7-9(18-6-15-7)5-17(3)10-8(12)4-14-11(13-2)16-10/h4,6H,5H2,1-3H3,(H,13,14,16)
InChIKeyDSIPUSNLECFRFG-UHFFFAOYSA-N
XLogP2.06
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 80839819) is 5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(N(C)Cc2scnc2C)n1.
What is the InChIKey of 5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DSIPUSNLECFRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c1-7-9(18-6-15-7)5-17(3)10-8(12)4-14-11(13-2)16-10/h4,6H,5H2,1-3H3,(H,13,14,16).
What are the key properties of 5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 267.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80839819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).