6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine

C21H24ClN5O2S — CID 127041887

IUPAC6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine
SMILESCOc1ccnc(C2CC2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1
InChIInChI=1S/C21H24ClN5O2S/c1-11-19(22)26-21(27-20(11)24-9-18-12(2)25-13(3)30-18)29-10-14-7-16(14)17-8-15(28-4)5-6-23-17/h5-6,8,14,16H,7,9-10H2,1-4H3,(H,24,26,27)
InChIKeyBLZPOYBGBMGUFA-UHFFFAOYSA-N
MW445.98 g/mol
LogP4.71
Rot. Bonds8

About 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine

6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine (PubChem CID 127041887) has the molecular formula C21H24ClN5O2S and a molecular weight of 445.98 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine
PubChem CID127041887
Molecular FormulaC21H24ClN5O2S
Molecular Weight445.98 g/mol
Exact Mass445.13
IUPAC Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine
SMILESCOc1ccnc(C2CC2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1
InChIInChI=1S/C21H24ClN5O2S/c1-11-19(22)26-21(27-20(11)24-9-18-12(2)25-13(3)30-18)29-10-14-7-16(14)17-8-15(28-4)5-6-23-17/h5-6,8,14,16H,7,9-10H2,1-4H3,(H,24,26,27)
InChIKeyBLZPOYBGBMGUFA-UHFFFAOYSA-N
XLogP4.71
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.98
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine (CID 127041887) is 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine is COc1ccnc(C2CC2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1.
What is the InChIKey of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine?
The InChIKey is BLZPOYBGBMGUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2S/c1-11-19(22)26-21(27-20(11)24-9-18-12(2)25-13(3)30-18)29-10-14-7-16(14)17-8-15(28-4)5-6-23-17/h5-6,8,14,16H,7,9-10H2,1-4H3,(H,24,26,27).
What are the key properties of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine?
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine has a molecular weight of 445.98 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 127041887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).