N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine

C12H16N4OS — CID 66328817

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2scnc2C)ncn1
InChIInChI=1S/C12H16N4OS/c1-3-4-17-12-5-11(14-7-15-12)13-6-10-9(2)16-8-18-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyKQCHIARCICZTJC-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.64
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine (PubChem CID 66328817) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine
PubChem CID66328817
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2scnc2C)ncn1
InChIInChI=1S/C12H16N4OS/c1-3-4-17-12-5-11(14-7-15-12)13-6-10-9(2)16-8-18-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyKQCHIARCICZTJC-UHFFFAOYSA-N
XLogP2.64
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 66329022
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
CID 66329191
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
CID 66329796
2-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80829432
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
4-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80829677
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propoxybenzene-1,4-diamine
CID 63677781
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
N-[[3-(chloromethyl)phenyl]methyl]-6-propoxypyrimidin-4-amine
CID 66332407
3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
CID 66331778
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine
CID 113313752

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine (CID 66328817) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NCc2scnc2C)ncn1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine?
The InChIKey is KQCHIARCICZTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-4-17-12-5-11(14-7-15-12)13-6-10-9(2)16-8-18-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66328817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).