N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine

C15H22N4OS — CID 80955893

IUPACN-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(OCCc2scnc2C)nc(C(C)C)n1
InChIInChI=1S/C15H22N4OS/c1-5-16-13-8-14(19-15(18-13)10(2)3)20-7-6-12-11(4)17-9-21-12/h8-10H,5-7H2,1-4H3,(H,16,18,19)
InChIKeyPNNSCDFWFKMLQJ-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.42
Rot. Bonds7

About N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine

N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80955893) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80955893
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(OCCc2scnc2C)nc(C(C)C)n1
InChIInChI=1S/C15H22N4OS/c1-5-16-13-8-14(19-15(18-13)10(2)3)20-7-6-12-11(4)17-9-21-12/h8-10H,5-7H2,1-4H3,(H,16,18,19)
InChIKeyPNNSCDFWFKMLQJ-UHFFFAOYSA-N
XLogP3.42
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80965282
6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963169
N-ethyl-6-pent-4-enoxy-2-propan-2-ylpyrimidin-4-amine
CID 80962371
6-[3-(dimethylamino)propoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963365
N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine
CID 106669036
N,5-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80989512
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984746
6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80966273
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
N-tert-butyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-2-amine
CID 115498631
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine (CID 80955893) is N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine is CCNc1cc(OCCc2scnc2C)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is PNNSCDFWFKMLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-5-16-13-8-14(19-15(18-13)10(2)3)20-7-6-12-11(4)17-9-21-12/h8-10H,5-7H2,1-4H3,(H,16,18,19).
What are the key properties of N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 306.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80955893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).