5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C14H20N4S — CID 80991525

IUPAC5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cscc1CNc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C14H20N4S/c1-8(2)13-17-12(15)10(4)14(18-13)16-5-11-7-19-6-9(11)3/h6-8H,5H2,1-4H3,(H3,15,16,17,18)
InChIKeyYETSQVNJSDFRBV-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.47
Rot. Bonds4

About 5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80991525) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80991525
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cscc1CNc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C14H20N4S/c1-8(2)13-17-12(15)10(4)14(18-13)16-5-11-7-19-6-9(11)3/h6-8H,5H2,1-4H3,(H3,15,16,17,18)
InChIKeyYETSQVNJSDFRBV-UHFFFAOYSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980652
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983416
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
CID 80992974
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985285
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
CID 81006959
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 106332041
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80991525) is 5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is Cc1cscc1CNc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is YETSQVNJSDFRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-8(2)13-17-12(15)10(4)14(18-13)16-5-11-7-19-6-9(11)3/h6-8H,5H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80991525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).