2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine

C17H25N3S — CID 102838647

IUPAC2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(-c2ccsc2C)c1C
InChIInChI=1S/C17H25N3S/c1-7-9-18-15-11(2)14(13-8-10-21-12(13)3)19-16(20-15)17(4,5)6/h8,10H,7,9H2,1-6H3,(H,18,19,20)
InChIKeyUMNPVHRZIBSGMW-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.94
Rot. Bonds4

About 2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine

2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 102838647) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
PubChem CID102838647
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(-c2ccsc2C)c1C
InChIInChI=1S/C17H25N3S/c1-7-9-18-15-11(2)14(13-8-10-21-12(13)3)19-16(20-15)17(4,5)6/h8,10H,7,9H2,1-6H3,(H,18,19,20)
InChIKeyUMNPVHRZIBSGMW-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
CID 102838645
4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 102838564
2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80989793
6-(2-methylthiophen-3-yl)-N-propylpyridin-2-amine
CID 102838364
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine
CID 114690885
2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80977294
6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine
CID 102838567
4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine
CID 102838569
3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80991702
6-(2-methylthiophen-3-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102838356

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine (CID 102838647) is 2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)(C)C)nc(-c2ccsc2C)c1C.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is UMNPVHRZIBSGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-7-9-18-15-11(2)14(13-8-10-21-12(13)3)19-16(20-15)17(4,5)6/h8,10H,7,9H2,1-6H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine?
2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 303.47 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102838647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).