1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

C13H18N4OS — CID 102952841

IUPAC1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cc(OC)ncn2)nc1C(C)C
InChIInChI=1S/C13H18N4OS/c1-8(2)12-10(6-14-3)19-13(17-12)9-5-11(18-4)16-7-15-9/h5,7-8,14H,6H2,1-4H3
InChIKeyPTTFHTADSSKSQZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 102952841) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID102952841
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cc(OC)ncn2)nc1C(C)C
InChIInChI=1S/C13H18N4OS/c1-8(2)12-10(6-14-3)19-13(17-12)9-5-11(18-4)16-7-15-9/h5,7-8,14H,6H2,1-4H3
InChIKeyPTTFHTADSSKSQZ-UHFFFAOYSA-N
XLogP2.45
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 102952841) is 1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2cc(OC)ncn2)nc1C(C)C.
What is the InChIKey of 1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is PTTFHTADSSKSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8(2)12-10(6-14-3)19-13(17-12)9-5-11(18-4)16-7-15-9/h5,7-8,14H,6H2,1-4H3.
What are the key properties of 1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 278.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 102952841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).