2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine

C16H25N3OS — CID 106497829

IUPAC2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(SCC2CCCO2)c1C
InChIInChI=1S/C16H25N3OS/c1-3-8-17-14-11(2)16(19-15(18-14)12-6-7-12)21-10-13-5-4-9-20-13/h12-13H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyVBACZZGHIFVCBD-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.76
Rot. Bonds7

About 2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine

2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine (PubChem CID 106497829) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine
PubChem CID106497829
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(SCC2CCCO2)c1C
InChIInChI=1S/C16H25N3OS/c1-3-8-17-14-11(2)16(19-15(18-14)12-6-7-12)21-10-13-5-4-9-20-13/h12-13H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyVBACZZGHIFVCBD-UHFFFAOYSA-N
XLogP3.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 106498011
2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497894
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106497697
6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80990882
6-cyclobutyloxy-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine
CID 80991023
2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80990210
(2-cyclopropyl-5-methyl-6-propylsulfanylpyrimidin-4-yl)hydrazine
CID 81000764
2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine
CID 107765323
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765745

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine (CID 106497829) is 2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C2CC2)nc(SCC2CCCO2)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine?
The InChIKey is VBACZZGHIFVCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-8-17-14-11(2)16(19-15(18-14)12-6-7-12)21-10-13-5-4-9-20-13/h12-13H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine?
2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine has a molecular weight of 307.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106497829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).