6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine

C16H23N3OS — CID 80991069

IUPAC6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(SCc2ccco2)c1C
InChIInChI=1S/C16H23N3OS/c1-5-8-17-15-12(4)16(19-14(18-15)11(2)3)21-10-13-7-6-9-20-13/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,18,19)
InChIKeyPDQDZMUAZBKOAK-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.62
Rot. Bonds7

About 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80991069) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80991069
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(SCc2ccco2)c1C
InChIInChI=1S/C16H23N3OS/c1-5-8-17-15-12(4)16(19-14(18-15)11(2)3)21-10-13-7-6-9-20-13/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,18,19)
InChIKeyPDQDZMUAZBKOAK-UHFFFAOYSA-N
XLogP4.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80990680
2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80991282
4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80893880
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80990415
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979448
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962187
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989175
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80892759

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80991069) is 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)C)nc(SCc2ccco2)c1C.
What is the InChIKey of 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is PDQDZMUAZBKOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-8-17-15-12(4)16(19-14(18-15)11(2)3)21-10-13-7-6-9-20-13/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80991069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).