6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine

C13H18N4OS — CID 66328037

IUPAC6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCCCOc1cc(NC(CC)c2nccs2)ncn1
InChIInChI=1S/C13H18N4OS/c1-3-6-18-12-8-11(15-9-16-12)17-10(4-2)13-14-5-7-19-13/h5,7-10H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyVCGNGHCQYFTFHD-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.29
Rot. Bonds7

About 6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine

6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (PubChem CID 66328037) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
PubChem CID66328037
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCCCOc1cc(NC(CC)c2nccs2)ncn1
InChIInChI=1S/C13H18N4OS/c1-3-6-18-12-8-11(15-9-16-12)17-10(4-2)13-14-5-7-19-13/h5,7-10H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyVCGNGHCQYFTFHD-UHFFFAOYSA-N
XLogP3.29
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334028
5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 97196496
2-[(6-propoxypyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284507
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
CID 114154931
6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80845214
1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
CID 66328407
6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 66330165
2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80941375
6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine
CID 80845103
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328207

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (CID 66328037) is 6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is CCCOc1cc(NC(CC)c2nccs2)ncn1.
What is the InChIKey of 6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The InChIKey is VCGNGHCQYFTFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-6-18-12-8-11(15-9-16-12)17-10(4-2)13-14-5-7-19-13/h5,7-10H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 66328037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).