N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine

C14H19N3S — CID 133349963

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(c2cccs2)C(C)(C)C)ncn1
InChIInChI=1S/C14H19N3S/c1-10-8-12(16-9-15-10)17-13(14(2,3)4)11-6-5-7-18-11/h5-9,13H,1-4H3,(H,15,16,17)
InChIKeyREQRUUZQFRSKCW-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.05
Rot. Bonds3

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine (PubChem CID 133349963) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine
PubChem CID133349963
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(c2cccs2)C(C)(C)C)ncn1
InChIInChI=1S/C14H19N3S/c1-10-8-12(16-9-15-10)17-13(14(2,3)4)11-6-5-7-18-11/h5-9,13H,1-4H3,(H,15,16,17)
InChIKeyREQRUUZQFRSKCW-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-methylpyrimidin-4-amine
CID 133349950
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419353
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781298
6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225495
6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781949
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349942
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
CID 133349938
N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine
CID 133311807
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023
4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine
CID 106357708
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
CID 52691160

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine (CID 133349963) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine is Cc1cc(NC(c2cccs2)C(C)(C)C)ncn1.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine?
The InChIKey is REQRUUZQFRSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-8-12(16-9-15-10)17-13(14(2,3)4)11-6-5-7-18-11/h5-9,13H,1-4H3,(H,15,16,17).
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133349963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).