2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine

C16H22N4S — CID 80984662

IUPAC2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
SMILESCc1ccc(CC(C)Nc2nc(C3CC3)nc(N)c2C)s1
InChIInChI=1S/C16H22N4S/c1-9(8-13-7-4-10(2)21-13)18-15-11(3)14(17)19-16(20-15)12-5-6-12/h4,7,9,12H,5-6,8H2,1-3H3,(H3,17,18,19,20)
InChIKeySCSQAUWBLSUVJJ-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.66
Rot. Bonds5

About 2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine

2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine (PubChem CID 80984662) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
PubChem CID80984662
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
SMILESCc1ccc(CC(C)Nc2nc(C3CC3)nc(N)c2C)s1
InChIInChI=1S/C16H22N4S/c1-9(8-13-7-4-10(2)21-13)18-15-11(3)14(17)19-16(20-15)12-5-6-12/h4,7,9,12H,5-6,8H2,1-3H3,(H3,17,18,19,20)
InChIKeySCSQAUWBLSUVJJ-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80985188
4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80980857
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-nitropyridine-2,6-diamine
CID 80836746
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
CID 83064073
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80986199
N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80986210
2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine
CID 106890474
2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80917766
2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592555
5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80918079

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine (CID 80984662) is 2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine is Cc1ccc(CC(C)Nc2nc(C3CC3)nc(N)c2C)s1.
What is the InChIKey of 2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine?
The InChIKey is SCSQAUWBLSUVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-9(8-13-7-4-10(2)21-13)18-15-11(3)14(17)19-16(20-15)12-5-6-12/h4,7,9,12H,5-6,8H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine?
2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine has a molecular weight of 302.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80984662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).