N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

C18H21FN6S — CID 175659435

IUPACN-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2ncc(C)s2)nc([C@@H](C)N(C)Cc2ccc(F)cn2)n1
InChIInChI=1S/C18H21FN6S/c1-11-7-16(24-18-21-8-12(2)26-18)23-17(22-11)13(3)25(4)10-15-6-5-14(19)9-20-15/h5-9,13H,10H2,1-4H3,(H,21,22,23,24)/t13-/m1/s1
InChIKeyAAOKLTITCSNISM-CYBMUJFWSA-N
MW372.47 g/mol
LogP4.02
Rot. Bonds6

About N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 175659435) has the molecular formula C18H21FN6S and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID175659435
Molecular FormulaC18H21FN6S
Molecular Weight372.47 g/mol
Exact Mass372.15
IUPAC NameN-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2ncc(C)s2)nc([C@@H](C)N(C)Cc2ccc(F)cn2)n1
InChIInChI=1S/C18H21FN6S/c1-11-7-16(24-18-21-8-12(2)26-18)23-17(22-11)13(3)25(4)10-15-6-5-14(19)9-20-15/h5-9,13H,10H2,1-4H3,(H,21,22,23,24)/t13-/m1/s1
InChIKeyAAOKLTITCSNISM-CYBMUJFWSA-N
XLogP4.02
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (CID 175659435) is N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is Cc1cc(Nc2ncc(C)s2)nc([C@@H](C)N(C)Cc2ccc(F)cn2)n1.
What is the InChIKey of N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is AAOKLTITCSNISM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN6S/c1-11-7-16(24-18-21-8-12(2)26-18)23-17(22-11)13(3)25(4)10-15-6-5-14(19)9-20-15/h5-9,13H,10H2,1-4H3,(H,21,22,23,24)/t13-/m1/s1.
What are the key properties of N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 372.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 175659435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).