N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C14H20N4S — CID 80977055

IUPACN-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(Cc2nccs2)c1C
InChIInChI=1S/C14H20N4S/c1-5-15-14-10(4)11(8-12-16-6-7-19-12)17-13(18-14)9(2)3/h6-7,9H,5,8H2,1-4H3,(H,15,17,18)
InChIKeyRVLQDVPSSAGFDY-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.39
Rot. Bonds5

About N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80977055) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID80977055
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(Cc2nccs2)c1C
InChIInChI=1S/C14H20N4S/c1-5-15-14-10(4)11(8-12-16-6-7-19-12)17-13(18-14)9(2)3/h6-7,9H,5,8H2,1-4H3,(H,15,17,18)
InChIKeyRVLQDVPSSAGFDY-UHFFFAOYSA-N
XLogP3.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79820299
N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
CID 79820460
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-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
N-ethyl-6-(2-ethylimidazol-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80992986
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928319
6-ethyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 63560963
N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
2-ethyl-5-methyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80977439
N,6-diethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66298311
6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 106411949

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 80977055) is N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is CCNc1nc(C(C)C)nc(Cc2nccs2)c1C.
What is the InChIKey of N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is RVLQDVPSSAGFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-5-15-14-10(4)11(8-12-16-6-7-19-12)17-13(18-14)9(2)3/h6-7,9H,5,8H2,1-4H3,(H,15,17,18).
What are the key properties of N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 276.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80977055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).