4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine

C16H24N4S — CID 80836659

IUPAC4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(C)Cc2cccs2)nc(C)n1
InChIInChI=1S/C16H24N4S/c1-5-8-17-15-11-16(19-13(3)18-15)20(4)12(2)10-14-7-6-9-21-14/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,17,18,19)
InChIKeyIYMADHAPDPSWRA-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.74
Rot. Bonds7

About 4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine

4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80836659) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80836659
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(C)Cc2cccs2)nc(C)n1
InChIInChI=1S/C16H24N4S/c1-5-8-17-15-11-16(19-13(3)18-15)20(4)12(2)10-14-7-6-9-21-14/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,17,18,19)
InChIKeyIYMADHAPDPSWRA-UHFFFAOYSA-N
XLogP3.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849189
2-N,4-N,6-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80850116
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488087
N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490150
4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80793618
6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837356
2-tert-butyl-4-N-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959395
N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79490143
6-hydrazinyl-N,2-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905613
6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80951010
2-methyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80809902
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337

Frequently Asked Questions

What is the IUPAC name of 4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine (CID 80836659) is 4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine is CCCNc1cc(N(C)C(C)Cc2cccs2)nc(C)n1.
What is the InChIKey of 4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is IYMADHAPDPSWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-5-8-17-15-11-16(19-13(3)18-15)20(4)12(2)10-14-7-6-9-21-14/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80836659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).