6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C14H20N4S — CID 80994262

IUPAC6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCc2cccs2)c1C
InChIInChI=1S/C14H20N4S/c1-9(2)12-17-13(15-4)10(3)14(18-12)16-8-11-6-5-7-19-11/h5-7,9H,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyCZAWBOKDNOMIOF-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.62
Rot. Bonds5

About 6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80994262) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80994262
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCc2cccs2)c1C
InChIInChI=1S/C14H20N4S/c1-9(2)12-17-13(15-4)10(3)14(18-12)16-8-11-6-5-7-19-11/h5-7,9H,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyCZAWBOKDNOMIOF-UHFFFAOYSA-N
XLogP3.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80774342
6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983112
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994020
5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990902
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 81000587
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
6-N,2-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772969
N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006916
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
CID 80992534
4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102701807
N-[2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80993574
6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80994262) is 6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(NCc2cccs2)c1C.
What is the InChIKey of 6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is CZAWBOKDNOMIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9(2)12-17-13(15-4)10(3)14(18-12)16-8-11-6-5-7-19-11/h5-7,9H,8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80994262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).